SCHEMBL3801993

SCHEMBL3801993

CCN(C(=O)c1ccc(C)cc1C)c1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
CDK2 P24941 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 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
SCHEMBL3797880 0.81 ALDH1A1 (0.41) NPC1RAB9AALDH1A1CDK4CCND1
SCHEMBL3806468 0.80 NPC1 (0.40) NPC1RAB9AATMALDH1A1PTGS1
SCHEMBL3800066 0.80 MEN1 (0.40) NPC1RAB9AALDH1A1CDK4CCND1
SCHEMBL11670620 0.79 MEN1 (0.60) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL7585320 0.79 ALDH1A1 (0.52) NPC1RAB9AATMALDH1A1CDK4
SCHEMBL3804572 0.78 ALDH1A1 (0.44) NPC1RAB9AALDH1A1CDK4CCND1
SCHEMBL3805967 0.78 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL6394938 0.76 ALDH1A1 (0.56) NPC1RAB9AALDH1A1CDK4MEN1
SCHEMBL27474102 0.76 LMNA (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL9942738 0.76 NR4A2 (0.46) NPC1RAB9AALDH1A1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed