SCHEMBL3920125

SCHEMBL3920125

CC[C]1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK1 P28482 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
S100A4 P26447 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CES2 O00748 1/20 0.38
APAF1 O14727 1/20 0.38
TERT O14746 1/20 0.38
PLIN1 O60240 1/20 0.38
TDP2 O95551 1/20 0.38
S1PR4 O95977 1/20 0.38
PLA2G1B P04054 1/20 0.38
BCHE P06276 1/20 0.38

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
Propane SCHEMBL9015822 0.79 MEN1 (0.47) TP53MEN1KMT2AMAPK1LMNA
SCHEMBL6344388 0.78 CDC25A (0.36) TP53MAPK1LMNAMAPTNPC1
SCHEMBL6414801 0.77 ALDH1A1 (0.37) TP53MEN1KMT2AMAPK1LMNA
SCHEMBL27638217 0.75 ALDH1A1 (0.35) TP53MEN1KMT2AMAPK1LMNA
SCHEMBL4269021 0.75 CDC25B (0.55) TP53MEN1KMT2AMAPK1LMNA
Ethylbenzene SCHEMBL3663827 0.73 TP53 (0.82) TP53MAPK1LMNAMAPTNPC1
SCHEMBL2776956 0.73 CSNK2A2 (0.50) TP53MEN1KMT2AMAPK1LMNA
SCHEMBL3921016 0.73 BCHE (0.39) MAPTNPC1RAB9ASMN1; SMN2BCHE
Ethane SCHEMBL5905674 0.71 MEN1 (0.53) TP53MEN1KMT2AMAPK1LMNA
Ethane SCHEMBL1628718 0.71 MEN1 (0.53) TP53MEN1KMT2AMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149105-B2 Amine catalysts for polyurethane foams HONEYWELL INTERNATIONAL INC. (US) 2021-10-19 US disclosed
US-20190315905-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2019-10-17 US disclosed
US-20170088662-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS HONEYWELL INTERNATIONAL INC. 2017-03-30 US disclosed
US-9550854-B2 Amine catalysts for polyurethane foams HONEYWELL INTERNATIONAL INC. (US) 2017-01-24 US disclosed
CN-101952336-A Amine catalysts for polyurethane foams HONEYWELL INT INC 2011-01-19 CN disclosed
US-20090099274-A1 AMINE CATALYSTS FOR POLYURETHANE FOAMS SOLSTICE ADVANCED MATERIALS US, INC. 2009-04-16 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed