SCHEMBL31467643

SCHEMBL31467643

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(Cc3ccncc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.47
▸ CYP2C9 P11712 10/20 0.47
▸ CYP2D6 P10635 10/20 0.47
▸ CYP2C19 P33261 7/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ USP2 O75604 8/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ TSHR P16473 4/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ HSD11B1 P28845 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ LSS P48449 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
SCHEMBL31467598 0.89 TRPV4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL31467569 0.88 KDM4E (0.42) CYP2D6ALDH1A1USP2TRPV4TP53
SCHEMBL31467620 0.87 TRPV4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL31467635 0.85 TRPV4 (0.39) CYP3A4CYP2C9CYP2D6CYP2C19ALDH1A1
SCHEMBL31467604 0.85 TRPV4 (0.40) CYP2D6TRPV4
SCHEMBL31467644 0.85 TRPV4 (0.40) CYP3A4CYP2D6USP2TRPV4
SCHEMBL25371906 0.85 TRPV4 (0.44) CYP2D6ALDH1A1TRPV4KDM4EPOLB
SCHEMBL30567044 0.85 TRPV4 (0.44) CYP2D6ALDH1A1TRPV4KDM4EPOLB
SCHEMBL31467629 0.84 TRPV4 (0.40) CYP3A4USP2TRPV4KDM4EKMT2A
SCHEMBL31467641 0.83 TRPV4 (0.41) CYP3A4CYP2C9CYP2D6CYP2C19ALDH1A1

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-2025049275-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2025-03-06 — — WO disclosed
Send feedback