SCHEMBL31467645

SCHEMBL31467645

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CC2(CN(Cc3ccco3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ USP2 O75604 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL31467646 1.00 KMT2A (0.45) KMT2ATRPV4ALDH1A1KDM4ENPSR1
SCHEMBL31467636 0.82 TLR7 (0.40) TRPV4USP2MAPTPTGS2POLB
SCHEMBL25371906 0.82 TRPV4 (0.44) TRPV4ALDH1A1KDM4EPOLB
SCHEMBL30567044 0.82 TRPV4 (0.44) TRPV4ALDH1A1KDM4EPOLB
SCHEMBL31467612 0.82 TRPV4 (0.39) TRPV4KDM4E
SCHEMBL31467629 0.81 TRPV4 (0.40) KMT2ATRPV4KDM4EUSP2MAPT
SCHEMBL31467641 0.81 TRPV4 (0.41) TRPV4ALDH1A1USP2
SCHEMBL31467643 0.81 CYP3A4 (0.47) KMT2ATRPV4ALDH1A1KDM4EMEN1
SCHEMBL31467610 0.80 ALDH1A1 (0.46) KMT2ATRPV4ALDH1A1KDM4ENPSR1
SCHEMBL25371347 0.80 TRPV4 (0.41) TRPV4KDM4E

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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