SCHEMBL7748005

SCHEMBL7748005

Nc1cc(N)c2cccc(N)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
CYP3A4 P08684 4/20 0.65
TSHR P16473 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
NR4A2 P43354 1/20 0.50
KEAP1 Q14145 2/20 0.48
PARP1 P09874 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
IDO1 P14902 2/20 0.42
RECQL P46063 2/20 0.42
POLB P06746 2/20 0.42
TTR P02766 1/20 0.42
USP2 O75604 1/20 0.42
TDP2 O95551 1/20 0.42
TDO2 P48775 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16107484 0.82 ALDH1A1 (0.68) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL9403002 0.81 PTK2 (0.40) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL27912581 0.81 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL48843 0.81 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL29365003 0.81 ALDH1A1 (1.00) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL26017666 0.79 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL21297024 0.79 ALDH1A1 (0.72) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL28581970 0.78 CYP3A4 (0.81) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL4659312 0.78 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL335367 0.78 ALDH1A1 (0.93) ALDH1A1HPGDCYP3A4TSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886278-A Triazine ring-containing polymer, resin composition, cured film, and solid-state imaging element 东丽株式会社 2020-11-03 CN disclosed
WO-2019188475-A1 TRIAZINE-RING-CONTAINING POLYMER, RESIN COMPOSITION, CURED FILM, AND SOLID-STATE IMAGING ELEMENT 東レ株式会社 2019-10-03 WO disclosed
WO-2018123207-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2018-07-05 WO disclosed
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed
US-5112989-A Process for producing unsaturated mono and dicarboxylic acid imide compound MATSUSHITA ELECTRIC WORKS LTD. (JP) 1992-05-12 US disclosed
EP-0387381-A1 Process for producing unsaturated dicarboxylic acid imide compound MATSUSHITA ELECTRIC WORKS, LTD. (JP) 1990-09-19 EP disclosed
EP-0172274-B1 A METHOD FOR PREPARING POLYIMIDE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 1989-05-10 EP disclosed
US-4740610-A Process for the preparation of N,o-substituted mono- and/or polyurethanes BASF AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
EP-0028724-B1 PROCESS FOR PREPARING ARYL ISOCYANATES BY THERMAL DECOMPOSITION OF ARYL URETHANES BASF Aktiengesellschaft (DE) 1984-09-12 EP disclosed
EP-0018583-B1 PROCESS FOR THE PREPARATION OF ARYL-MONO-,-DI-AND/OR POLYURETHANES- BASF Aktiengesellschaft (DE) 1984-02-15 EP disclosed
EP-0028338-B1 PROCESS FOR PREPARING AROMATIC DI- AND/OR POLYISOCYANATES BASF Aktiengesellschaft (DE) 1984-01-18 EP disclosed
EP-0018581-B1 PROCESS FOR THE PREPARATION OF ARYL-MONO- AND/OR POLYURETHANES BASF Aktiengesellschaft (DE) 1983-05-25 EP disclosed
EP-0078005-A1 Method for the preparation of isocyanates by pyrolysis of urethanes BASF Aktiengesellschaft (DE) 1983-05-04 EP disclosed
US-4330479-A ZINC OR ALUMINUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
US-4290970-A Process for the manufacture of aromatic di- and/or polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
EP-0028724-A1 Process for preparing aryl isocyanates by thermal decomposition of aryl urethanes BASF Aktiengesellschaft (DE) 1981-05-20 EP disclosed
EP-0028338-A2 Process for preparing aromatic di- and/or polyisocyanates BASF Aktiengesellschaft (DE) 1981-05-13 EP disclosed
EP-0018583-A1 Process for the preparation of aryl-mono-,-di-and/or polyurethanes- BASF Aktiengesellschaft (DE) 1980-11-12 EP disclosed