SCHEMBL31467598

SCHEMBL31467598

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(Cc3cncnc3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.41
▸ RORC P51449 10/20 0.35
▸ CYP2D6 P10635 5/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ USP2 O75604 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRS3 P32247 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL31467620 0.90 TRPV4 (0.41) TRPV4RORCCYP2D6CYP3A4ALDH1A1
SCHEMBL31467569 0.89 KDM4E (0.42) TRPV4CYP2D6ALDH1A1USP2BRS3
SCHEMBL31467643 0.89 CYP3A4 (0.47) TRPV4CYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL31467604 0.86 TRPV4 (0.40) TRPV4RORCCYP2D6BRS3
SCHEMBL31467644 0.84 TRPV4 (0.40) TRPV4RORCCYP2D6CYP3A4USP2
SCHEMBL25371906 0.84 TRPV4 (0.44) TRPV4CYP2D6ALDH1A1BRS3
SCHEMBL30567044 0.84 TRPV4 (0.44) TRPV4CYP2D6ALDH1A1BRS3
SCHEMBL31467618 0.83 TRPV4 (0.39) TRPV4RORCCYP2D6CYP3A4CYP2C9
SCHEMBL31467606 0.83 PTGS1 (0.39) TRPV4RORC
SCHEMBL31467641 0.82 TRPV4 (0.41) TRPV4RORCCYP2D6CYP3A4ALDH1A1

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
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