SCHEMBL10381964

SCHEMBL10381964

CC1Cc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.50
THRB P10828 1/20 0.50
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.46
SCN9A Q15858 12/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN7A Q01118 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 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
SCHEMBL31009427 0.81 THRB (0.47) LIPETHRBMAPK1LMNASCN9A
SCHEMBL24750256 0.81 LIPE (0.45) LIPETHRBMAPK1LMNASCN9A
SCHEMBL31694825 0.81 LIPE (0.45) LIPETHRBMAPK1LMNASCN9A
SCHEMBL10382692 0.81 RAB9A (0.51) LIPELMNAMAPTNPSR1
SCHEMBL10382411 0.77 FFAR1 (0.49) KCNH2
SCHEMBL15740415 0.77 TDP1 (0.51) MAPK1MAPT
SCHEMBL15727613 0.77 TDP1 (0.51) MAPK1MAPT
SCHEMBL10381933 0.75 THRB (0.56) LIPETHRBMAPK1LMNASCN9A
SCHEMBL24751486 0.73 LIPE (0.41) LIPEMAPK1LMNAMAPTNPSR1
SCHEMBL31009454 0.73 LIPE (0.41) LIPEMAPK1LMNAMAPTNPSR1

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
JP-1093584-A None JP disclosed
US-4911754-A A 5-phenylindolin-2-one compound AMERICAN CYANAMID COMPANY (US) 1990-03-27 US disclosed
JP-H0193584-A HERBICIDALLY ACTIVE ARYLOXY SATURATED 5-MEMBERED BENZO FUSED HETERO-CYCLIC COMPOUND AMERICAN CYANAMID CO 1989-04-12 JP disclosed
EP-0299446-A1 Herbicidally active arloxy saturated 5-membered benzo fused hetero-cyclic compounds AMERICAN CYANAMID COMPANY (US) 1989-01-18 EP disclosed