SCHEMBL30509931

SCHEMBL30509931

Cn1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)ccc2C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ AR P10275 6/20 0.42
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ ELANE P08246 2/20 0.36
▸ XDH P47989 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ RET P07949 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ SOAT1 P35610 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
SCHEMBL25378502 1.00 KIF11 (0.42) KIF11KCNH2ARCTSSCTSK
SCHEMBL26199143 0.85 SCN4A (0.48) ARCYP11B1CYP11B2PGRRET
SCHEMBL30510116 0.84 KMT2A (0.51) CYP11B1CYP11B2RET
SCHEMBL25380032 0.84 KMT2A (0.51) CYP11B1CYP11B2RET
SCHEMBL25378811 0.83 KDM4E (0.45) KCNH2CYP11B1CYP11B2RET
SCHEMBL25378358 0.81 KCNH2 (0.40) KIF11KCNH2CTSSCTSKCYP11B1
SCHEMBL30510171 0.81 KCNH2 (0.40) KIF11KCNH2CTSSCTSKCYP11B1
SCHEMBL30510039 0.80 KCNH2 (0.44) KIF11KCNH2TRPA1
SCHEMBL25302721 0.80 KCNH2 (0.44) KIF11KCNH2TRPA1
SCHEMBL25378254 0.77 KCNH2 (0.44) KIF11KCNH2TRPA1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452253-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-10-30 — — EP disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 — — WO disclosed
WO-2023122780-A2 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
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