SCHEMBL31467569

SCHEMBL31467569

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(Cc3cccnc3)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NAMPT P43490 4/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CCR9 P51686 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ NR1I2 O75469 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) ALDH1A1TRPV4BRS3USP2CYP2D6
SCHEMBL31467643 0.88 CYP3A4 (0.47) KDM4EALDH1A1TRPV4POLBTP53
SCHEMBL31467620 0.85 TRPV4 (0.41) ALDH1A1TRPV4USP2CYP2D6
SCHEMBL31467635 0.84 TRPV4 (0.39) ALDH1A1TRPV4PTGS2CYP2D6
SCHEMBL31467604 0.83 TRPV4 (0.40) TRPV4NR1I2BRS3CYP2D6
SCHEMBL31467631 0.82 ACKR3 (0.41) TRPV4PTGS2
SCHEMBL31467606 0.82 PTGS1 (0.39) TRPV4CCR9PTGS2
SCHEMBL31467644 0.82 TRPV4 (0.40) TRPV4NR1I2BRS3USP2CYP2D6
SCHEMBL31467610 0.82 ALDH1A1 (0.46) KDM4EALDH1A1TRPV4MMP1MMP3
SCHEMBL25371906 0.81 TRPV4 (0.44) KDM4EALDH1A1TRPV4POLBNR1I2

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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