SCHEMBL9062002

SCHEMBL9062002

CCCCCc1cnc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
RARB P10826 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 5/20 0.45
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL9061904 0.99 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9060926 0.99 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061296 0.99 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061928 0.99 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061851 0.99 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061911 0.96 RAB9A (0.50) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9062298 0.96 RARB (0.56) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9062306 0.95 RARB (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061348 0.95 RARB (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9061243 0.95 RARB (0.58) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10

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
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
EP-0381728-A1 DIFLUOROMETHYL COMPOUNDS. MERCK PATENT GMBH (DE) 1990-08-16 EP disclosed
WO-1990001056-A1 DIFLUOROMETHYL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-02-08 WO disclosed