SCHEMBL6567264

SCHEMBL6567264

C=C(Cc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CTBP2 P56545 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.44
MAOB P27338 4/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 3/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28543629 0.93 MEN1 (0.48) NPC1L3MBTL1RAB9ASMN1; SMN2CTBP2
SCHEMBL28470738 0.83 MAOB (0.49) CTBP2MAOBLOXL2CYP2A6MAOA
SCHEMBL354299 0.81 NPC1 (0.50) NPC1L3MBTL1RAB9ASMN1; SMN2CTBP2
SCHEMBL163962 0.80 MAOA (0.50) L3MBTL1TSHRMAPTMAOBMAOA
SCHEMBL1515736 0.79 CTBP2 (0.54) NPC1L3MBTL1RAB9ASMN1; SMN2CTBP2
SCHEMBL23837129 0.78 MAOA (0.36) MAOBMAOAKMT2AMEN1FFAR1
SCHEMBL11015736 0.77 LMNA (0.55) TSHRMAOBMAOAALDH1A1LMNA
SCHEMBL8462506 0.77 LOXL2 (0.52) CTBP2MAOBLOXL2CYP2A6MAOA
SCHEMBL2448732 0.76 L3MBTL1 (0.52) NPC1L3MBTL1RAB9ACTBP2MAPT
SCHEMBL6546365 0.76 TP53 (0.50) RAB9ASMN1; SMN2MAOBMAOAALDH1A1

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-1446371-A1 METHOD FOR THE PRODUCTION OF VINYL-ARENES, -HETEROARENES AND 1,3-DIENES FROM ARYL-, HETEROARYL- OR VINYL-CARBOXYLIC ACID DERIVATIVES Studiengesellschaft Kohle mbH (DE) 2004-08-18 EP disclosed
WO-2003043958-A1 METHOD FOR THE PRODUCTION OF VINYL-ARENES, -HETEROARENES AND 1,3-DIENES FROM ARYL-, HETEROARYL- OR VINYL-CARBOXYLIC ACID DERIVATIVES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-05-30 WO disclosed