SCHEMBL25877139

SCHEMBL25877139

Cn1cnc(-c2cc(N=O)ccc2Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 3/20 0.66
▸ YAP1 P46937 1/20 0.66
▸ TSHR P16473 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ EGFR P00533 3/20 0.43
▸ KDR P35968 3/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ TLR2 O60603 5/20 0.34
▸ TLR1 Q15399 5/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ BCDIN3D Q7Z5W3 1/20 0.33

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
SCHEMBL25877124 0.84 TEAD1 (0.71) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL25877140 0.83 TEAD1 (0.67) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL30503081 0.83 TEAD1 (0.67) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL21090737 0.82 TEAD1 (0.66) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL30683314 0.81 TEAD1 (0.65) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL21054618 0.81 TEAD1 (0.65) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL27035571 0.81 TEAD1 (0.65) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL30061318 0.81 TEAD1 (0.65) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL26603003 0.81 TEAD1 (0.65) TEAD1YAP1TSHRL3MBTL1EGFR
SCHEMBL25314394 0.81 TEAD1 (0.67) TEAD1YAP1TSHRL3MBTL1MAPK1

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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