SCHEMBL31467629

SCHEMBL31467629

Cc1ccnc(C)c1CN1CC2(C1)CN(S(=O)(=O)c1ccc(C(F)(F)F)nc1C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ RORC P51449 8/20 0.35
▸ BRS3 P32247 6/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL31467643 0.84 CYP3A4 (0.47) TRPV4KDM4EKMT2AUSP2CYP3A4
SCHEMBL31467576 0.83 TRPV4 (0.40) TRPV4RORCBRS3NR1I2
SCHEMBL31467610 0.83 ALDH1A1 (0.46) TRPV4KDM4EKMT2A
SCHEMBL25371906 0.83 TRPV4 (0.44) TRPV4KDM4EBRS3NR1I2GAA
SCHEMBL30567044 0.83 TRPV4 (0.44) TRPV4KDM4EBRS3NR1I2GAA
SCHEMBL31467620 0.83 TRPV4 (0.41) TRPV4RORCUSP2CYP3A4
SCHEMBL31467597 0.82 TRPV4 (0.40) TRPV4KDM4ERORCBRS3NR1I2
SCHEMBL31467641 0.82 TRPV4 (0.41) TRPV4RORCBRS3USP2CYP3A4
SCHEMBL31467646 0.81 KMT2A (0.45) TRPV4KDM4EKMT2AUSP2MAPT
SCHEMBL31467645 0.81 KMT2A (0.45) TRPV4KDM4EKMT2AUSP2MAPT

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