SCHEMBL24254623

SCHEMBL24254623

Cc1ccc(SN2CCCCC2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.53
HTT P42858 3/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 5/20 0.47
GAA P10253 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CLK1 P49759 1/20 0.41

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
SCHEMBL24254531 0.82 KCNQ2 (0.55) KCNQ2HTTNPC1GAAMAPT
SCHEMBL24254575 0.79 MAPT (0.53) KCNQ2HTTLMNAGAAMCOLN3
SCHEMBL24254585 0.79 HTT (0.74) HTTNPC1LMNAGAAMAPT
SCHEMBL24254507 0.76 MEN1 (0.48) KCNQ2HTTLMNAGAAMCOLN3
SCHEMBL24254550 0.75 HPGD (0.46) KCNQ2HTTNPC1LMNAGAA
SCHEMBL24254512 0.74 HTT (0.76) HTTNPC1LMNAGAAMAPT
SCHEMBL26188045 0.72 ALDH1A1 (0.57) HTTNPC1LMNAGAAMAPT
SCHEMBL24254502 0.70 ALDH1A1 (0.66) HTTLMNAGAAMAPTMEN1
SCHEMBL24254515 0.68 MAPT (0.48) KCNQ2HTTLMNAGAAMCOLN3
SCHEMBL23978667 0.66 SMN1; SMN2 (0.48) KCNQ2HTTLMNAGAAMCOLN3

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-2022035804-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed