SCHEMBL19910470

SCHEMBL19910470

Cc1cccc(Cc2nn(C)c3c2COc2ccc(F)cc2-3)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 11/20 0.43
▸ THRB P10828 3/20 0.40
▸ MAPT P10636 4/20 0.39
▸ PGR P06401 2/20 0.35
▸ NR3C2 P08235 2/20 0.35
▸ AR P10275 1/20 0.34

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
SCHEMBL19910420 0.80 NR1H4 (0.44) NR1H4THRBMAPTPGRAR
SCHEMBL19910368 0.78 NR1H4 (0.45) NR1H4THRBMAPT
SCHEMBL21574213 0.77 NR1H4 (0.47) NR1H4MAPT
SCHEMBL19910381 0.76 NR1H4 (0.57) NR1H4THRBMAPT
SCHEMBL16702292 0.71 NR1H4 (0.69) NR1H4MAPT
SCHEMBL21574194 0.71 THRB (0.43) NR1H4THRBMAPTPGRNR3C2
SCHEMBL21574265 0.71 THRB (0.43) NR1H4THRBMAPTPGRNR3C2
SCHEMBL2173369 0.70 NR1H4 (0.53) NR1H4THRBMAPT
SCHEMBL2549040 0.69 TP53 (0.55) NR1H4MAPT
SCHEMBL21574193 0.69 MAPT (0.44) NR1H4THRBMAPTPGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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