SCHEMBL26065337

SCHEMBL26065337

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CASP3 P42574 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
SCHEMBL26065808 0.94 TRPV4 (0.40) POLBALDH1A1CYP3A4GAACYP2D6
SCHEMBL25370997 0.88 TRPV4 (0.35) TRPV4
SCHEMBL26065732 0.83 TRPV4 (0.39) POLBALDH1A1CYP3A4GAACYP2D6
SCHEMBL25371347 0.81 TRPV4 (0.41) TRPV4SCN9A
SCHEMBL25371694 0.78 TRPV4 (0.34) TRPV4CNR1CNR2CASP3
SCHEMBL26065180 0.78 TRPV4 (0.38) POLBALDH1A1CYP3A4GAACYP2D6
SCHEMBL26066057 0.77 KCNH2 (0.43) POLBALDH1A1CYP3A4GAACYP2D6
SCHEMBL26065205 0.76 SMN1; SMN2 (0.43) ALDH1A1CYP3A4GAACYP2D6CYP2C9
SCHEMBL26065772 0.76 TRPV4 (0.40) POLBALDH1A1CYP3A4GAACYP2D6
SCHEMBL27070023 0.75 KMT2A (0.47) POLBALDH1A1GAATRPV4KMT2A

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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