SCHEMBL3250345

SCHEMBL3250345

CCC(C(=O)O)c1cnc(NS(=O)(=O)c2ccc(OC)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
PKM P14618 5/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
KEAP1 Q14145 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
CA1 P00915 1/20 0.44
GGT1 P19440 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL3254187 0.89 MMP9 (0.46) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL3256278 0.88 HDAC3 (0.46) ALDH1A1PKMMEN1KMT2AHSD17B10
SCHEMBL3256053 0.88 SCN3A (0.46) ALDH1A1PKMMEN1KMT2AMMP2
SCHEMBL3256970 0.86 ALOX12 (0.46) MEN1KMT2AMMP2MMP9
SCHEMBL3253214 0.85 AKT1 (0.46)
SCHEMBL3257519 0.84 KMO (0.48) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3256778 0.84 P2RY1 (0.49) MMP2MMP9CA1
SCHEMBL3255776 0.82 RAB9A (0.43)
SCHEMBL3256693 0.80 ACLY (0.40) MEN1KMT2A
SCHEMBL3253529 0.77 ALDH1A1 (0.52) ALDH1A1PKMMEN1KMT2AHSD17B10

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
EP-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed