SCHEMBL9341889

SCHEMBL9341889

CCCCCCCc1cnc(-c2ccc(OCCCCCC)c(F)c2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.44
MAPT P10636 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9346759 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9343393 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL8992393 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9345797 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9346808 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9343386 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9346749 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4813397 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4811839 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9405689 1.00 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373191-B1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK PATENT GMBH (DE) 1994-07-13 EP disclosed
US-5209866-A HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-11 US disclosed
EP-0373191-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES. MERCK PATENT GMBH (DE) 1990-06-20 EP disclosed
WO-1989008649-A1 HETEROCYCLIC 1,2-DIFLUOROBENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332024-A1 Heterocyclic derivatives of 1,2-difluorobenzene MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed