SCHEMBL9060960

SCHEMBL9060960

CCCCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
MAPT P10636 7/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
CASP3 P42574 2/20 0.70
SENP8 Q96LD8 2/20 0.70
SENP7 Q9BQF6 2/20 0.70
SENP6 Q9GZR1 2/20 0.70
SMN1; SMN2 Q16637 9/20 0.64
NPC1 O15118 7/20 0.64
STAT3 P40763 1/20 0.64
ATM Q13315 1/20 0.64
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
HTT P42858 1/20 0.47
THRB P10828 2/20 0.45

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
SCHEMBL9061379 1.00 RAB9A (0.70) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9061262 1.00 RAB9A (0.70) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9061603 1.00 RAB9A (0.70) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9062280 1.00 RAB9A (0.70) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9060886 0.99 RAB9A (0.71) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9062359 0.95 RAB9A (0.65) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9062033 0.89 RAB9A (0.57) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9620252 0.85 RAB9A (0.84) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8057478 0.85 RAB9A (0.84) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL9620727 0.85 RAB9A (0.84) RAB9AMAPTL3MBTL1CASP3SENP8

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