SCHEMBL26065997

SCHEMBL26065997

Cc1nc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CCCOC2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NMT1 P30419 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PTGS1 P23219 4/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL30567051 0.88 TRPV4 (0.39) TRPV4NMT1PTGS1PDE5A
SCHEMBL25372041 0.88 TRPV4 (0.39) TRPV4NMT1PTGS1PDE5A
SCHEMBL26065982 0.84 L3MBTL1 (0.39) L3MBTL1TRPV4ALDH1A1MEN1KMT2A
SCHEMBL26066022 0.82 L3MBTL1 (0.41) L3MBTL1TRPV4ALDH1A1GAACYP3A4
SCHEMBL26066052 0.81 DRD2 (0.44) TRPV4ALDH1A1GAACYP3A4CYP2D6
SCHEMBL26066053 0.81 L3MBTL1 (0.45) L3MBTL1TRPV4ALDH1A1GAACYP3A4
SCHEMBL26066023 0.78 TRPV4 (0.38) L3MBTL1TRPV4ALDH1A1GAACYP3A4
SCHEMBL26066051 0.78 KMT2A (0.43) L3MBTL1TRPV4ALDH1A1GAACYP3A4
SCHEMBL26065980 0.78 POLB (0.54) TRPV4ALDH1A1GAACYP3A4CYP2D6
SCHEMBL26065805 0.74 ALDH1A1 (0.44) TRPV4ALDH1A1GAAKDM4EMEN1

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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