SCHEMBL9060926

SCHEMBL9060926

CCCCCCc1cnc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 2/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
RARB P10826 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 4/20 0.44
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL9061296 1.00 RAB9A (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061928 1.00 RAB9A (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061904 1.00 RAB9A (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061851 1.00 RAB9A (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9062002 0.99 RAB9A (0.56) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061888 0.96 RARB (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061243 0.96 RARB (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9061348 0.96 RARB (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9062306 0.96 RARB (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL9060843 0.96 RARB (0.58) RAB9ASMN1; SMN2MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed