SCHEMBL6989208

SCHEMBL6989208

N#Cc1c(F)ccc(-c2ccccc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.43
ADORA2A P29274 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ADORA2B P29275 2/20 0.40
SQOR Q9Y6N5 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2569037 0.85 ALDH1A1 (0.44) ADORA1ADORA2AL3MBTL1MAPK1ALDH1A1
SCHEMBL19942595 0.83 ADORA1 (0.45) ADORA1ADORA2AL3MBTL1MAPK1KDM4E
SCHEMBL9069187 0.83 ADORA2A (0.45) ADORA1ADORA2AL3MBTL1MAPK1ALDH1A1
SCHEMBL27949446 0.81 ADORA1 (0.43) ADORA1ADORA2AL3MBTL1MAPK1ALDH1A1
SCHEMBL19908987 0.81 SQOR (0.43) ADORA1ADORA2AL3MBTL1ALDH1A1KDM4E
SCHEMBL19737771 0.81 PTGS2 (0.42) ADORA1ADORA2AALDH1A1KDM4EADORA2B
SCHEMBL22760879 0.81 ADRA2C (0.47) ADORA1ADORA2AADORA2B
SCHEMBL27991888 0.81 NPC1 (0.44) ADORA1ADORA2AL3MBTL1ALDH1A1KDM4E
SCHEMBL22563435 0.81 ADORA1 (0.50) ADORA1ADORA2AL3MBTL1MAPK1ALDH1A1
SCHEMBL22512473 0.80 ADORA2A (0.47) ADORA1ADORA2AL3MBTL1MAPK1ALDH1A1

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-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed