SCHEMBL9060231

SCHEMBL9060231

CCCCCCCc1cnc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.56
RAB9A P51151 7/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPC1 O15118 5/20 0.46
STAT3 P40763 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9060798 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061796 1.00 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061153 0.99 RARB (0.54) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5347389 0.99 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9060721 0.99 RARB (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5351824 0.97 RARB (0.56) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9060738 0.95 RAB9A (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9062283 0.95 RAB9A (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9061626 0.95 RAB9A (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL10535679 0.95 RAB9A (0.58) RARBRAB9AMAPTSMN1; SMN2KDM4E

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 4 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-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed