SCHEMBL24254531

SCHEMBL24254531

Cc1ccc(SN2CCCCC2)cc1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 8/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
GLS O94925 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24254623 0.82 KCNQ2 (0.53) KCNQ2MEN1KMT2ANPC1HTT
SCHEMBL24254530 0.79 NPC1 (0.68) KMT2ANPC1HTTGAAMAPT
SCHEMBL20195371 0.67 ALDH1A1 (0.43) SIGMAR1ALDH1A1
SCHEMBL24254539 0.67 MAPT (0.53) KCNQ2MEN1KMT2AHTTTP53
SCHEMBL24254523 0.66 HPGD (0.59) MEN1KMT2ARAB9AHTTTP53
SCHEMBL30795476 0.65 KCNQ2 (0.52) KCNQ2MEN1KMT2ANPC1RAB9A
SCHEMBL2434675 0.65 KCNQ2 (0.52) KCNQ2MEN1KMT2ANPC1RAB9A
SCHEMBL5107741 0.65 ALDH1A1 (0.50) KCNQ2KMT2ARAB9AHTTTP53
SCHEMBL13329762 0.65 SRC (0.52) KCNQ2MEN1KMT2ANPC1RAB9A
SCHEMBL22897441 0.64 SMN1; SMN2 (0.60) MEN1KMT2ANPC1RAB9AHTT

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