SCHEMBL30112100

SCHEMBL30112100

N#Cc1ccc(-c2ccc(C=O)s2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.51
▸ PGR P06401 4/20 0.48
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ EGLN2 Q96KS0 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
SCHEMBL30112105 0.83 MAPT (0.47) PGRMAPTEGLN2
SCHEMBL28972462 0.81 RXRA (0.49) ARPGRRXRARXRBRXRG
SCHEMBL30112131 0.81 AR (0.55) ARPGRRXRARXRBRXRG
SCHEMBL12128119 0.80 MAPT (0.47) PGRMAPT
SCHEMBL30112143 0.80 MAPT (0.47) ARPGRMAPTEGLN2
SCHEMBL28972461 0.80 AR (0.45) ARPGRRXRARXRBRXRG
SCHEMBL30112118 0.79 CYP3A4 (0.42) ARPGRMAPT
SCHEMBL29213634 0.78 PRF1 (0.59) PGRMAPT
SCHEMBL13004388 0.77 HSD17B1 (0.51) PGRMAPT
SCHEMBL12127710 0.76 MAPT (0.39) PGRMAPT

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
CN-110016011-B Amide derivative and medical use thereof 北京美倍他药物研究有限公司 2023-02-03 — — CN disclosed
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