SCHEMBL6565231

SCHEMBL6565231

COc1cc(C#N)ccc1NCC#Cc1ccc(C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PPARG P37231 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37

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
SCHEMBL6563680 0.86 PPARG (0.40) GAATP53MAPTSMN1; SMN2LMNA
SCHEMBL6563213 0.83 KMT2A (0.39) MAPTMRGPRX4KMT2APOLB
SCHEMBL6563737 0.79 EGLN1 (0.45) GAALMNAKDM4EKMT2AHPGD
SCHEMBL6563277 0.73 F2 (0.41)
SCHEMBL6563651 0.72 MAPK13 (0.45) GAASMN1; SMN2HTTKMT2APOLB
SCHEMBL6563532 0.70 ALDH1A1 (0.44) MAPTSMN1; SMN2LMNAHTTKMT2A
SCHEMBL6565408 0.68 CNR1 (0.41) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL5885461 0.68 PPARG (0.43) MAPTSMN1; SMN2LMNAHTTMRGPRX4
SCHEMBL23144303 0.68 IDH1 (0.49) GAAMAPTARKMT2AIDH1
SCHEMBL9575646 0.68 STS (0.56) GAATP53MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed