SCHEMBL30510143

SCHEMBL30510143

Cn1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)ccc2[N+](=O)[O-])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ EIF4E P06730 2/20 0.39
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MYC P01106 1/20 0.37
▸ MAX P61244 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ MASP2 O00187 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL25379027 1.00 GAA (0.44) GAAALDH1A1KCNH2KDM4ECYP19A1
SCHEMBL26192910 0.86 SCN4A (0.46) ALDH1A1EIF4EKMT2ANTRK1PTGS2
SCHEMBL26192925 0.85 HPRT1 (0.43) GAAALDH1A1EIF4EMEN1KMT2A
SCHEMBL25302721 0.78 KCNH2 (0.44) KCNH2KMT2APDPK1NTRK1
SCHEMBL30510039 0.78 KCNH2 (0.44) KCNH2KMT2APDPK1NTRK1
SCHEMBL25378502 0.75 KIF11 (0.42) KCNH2
SCHEMBL25378254 0.75 KCNH2 (0.44) KCNH2PDPK1NTRK1
SCHEMBL30509931 0.75 KIF11 (0.42) KCNH2
SCHEMBL26192840 0.75 S100A4 (0.41) ALDH1A1KDM4ECYP19A1MEN1KMT2A
SCHEMBL2629316 0.73 KEAP1 (0.58) KCNH2CYP19A1KMT2APTGS2

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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