SCHEMBL5010101

SCHEMBL5010101

Nc1ccc(C(c2ccc(N)c(Cl)c2)c2ccccc2Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
CYP3A4 P08684 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 2/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
IDO2 Q6ZQW0 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL29278566 0.81 ALDH1A1 (0.48) TSHRCYP3A4ALDH1A1MAPK1IDO1
SCHEMBL5007905 0.81 ALDH1A1 (0.48) TSHRCYP3A4ALDH1A1MAPK1IDO1
SCHEMBL5665204 0.80 SLC6A4 (0.39) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL5009566 0.79 TSHR (0.44) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL31409210 0.79 TSHR (0.44) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL8128649 0.74 TSHR (0.56) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL1596051 0.73 TSHR (0.58) TSHRCYP3A4ALDH1A1MAPK1HIF1A
2-Chlorophenyl-Bisphenylmethane(Major) SCHEMBL41575 0.73 IDO1 (0.55) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL2066643 0.72 TSHR (0.53) TSHRCYP3A4ALDH1A1MAPK1HIF1A
SCHEMBL5009560 0.72 ADRB2 (0.52) TSHRCYP3A4ALDH1A1MAPK1HIF1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed