SCHEMBL25877124

SCHEMBL25877124

CNc1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.71
▸ YAP1 P46937 1/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EGFR P00533 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ TLR2 O60603 6/20 0.39
▸ TLR1 Q15399 6/20 0.39
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL30503081 0.87 TEAD1 (0.67) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL25877140 0.87 TEAD1 (0.67) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL20779436 0.86 TEAD1 (0.66) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL21090737 0.84 TEAD1 (0.66) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL25877139 0.84 TEAD1 (0.66) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL20779435 0.83 TEAD1 (1.00) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL29438871 0.83 TEAD1 (1.00) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL30683314 0.83 TEAD1 (0.65) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL21054618 0.83 TEAD1 (0.65) TEAD1YAP1L3MBTL1TSHREGFR
SCHEMBL30061318 0.83 TEAD1 (0.65) TEAD1YAP1L3MBTL1TSHREGFR

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
WO-2023136645-A1 NOVEL AMINOBENZENE DERIVATIVE HAVING CANCER CELL GROWTH INHIBITORY EFFECT, AND PREVENTIVE OR THERAPEUTIC PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 주식회사 대웅제약 2023-07-20 — — WO disclosed
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