SCHEMBL26065808

SCHEMBL26065808

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC2(C)COC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ BRS3 P32247 2/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL26065337 0.94 POLB (0.36) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065732 0.90 TRPV4 (0.39) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL25371347 0.88 TRPV4 (0.41) TRPV4KDM4ESCN9ABRS3
SCHEMBL26065180 0.84 TRPV4 (0.38) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26066057 0.83 KCNH2 (0.43) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065205 0.82 SMN1; SMN2 (0.43) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065980 0.82 POLB (0.54) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065772 0.82 TRPV4 (0.40) TRPV4ALDH1A1CYP3A4GAACYP2D6
SCHEMBL25370997 0.81 TRPV4 (0.35) TRPV4
SCHEMBL26065891 0.81 TRPV4 (0.41) TRPV4ALDH1A1CYP3A4GAACYP2D6

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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