SCHEMBL8699498

SCHEMBL8699498

COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.63
MAOA P21397 2/20 0.63
ALDH1A1 P00352 3/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL8366113 0.82 MEN1 (0.60) KDM1AMAOAALDH1A1MAPTKMT2A
SCHEMBL27723355 0.81 KDM1A (0.76) KDM1AMAOAALDH1A1MAPTKMT2A
SCHEMBL17347402 0.80 KDM1A (0.61) KDM1AMAOAMAPTKMT2AMEN1
SCHEMBL7171823 0.76 HTR6 (0.62) KDM1AALDH1A1MAPTKMT2AMEN1
SCHEMBL8366885 0.76 OPRM1 (0.51) KDM1AMAOAKMT2AMEN1
SCHEMBL17347406 0.75 LMNA (0.74) KDM1AMAOAALDH1A1KMT2ARAB9A
SCHEMBL5726019 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL8516967 0.74 MEN1 (0.50) KDM1AMAOAMAPTKMT2AMEN1
SCHEMBL29356619 0.74 ALDH1A1 (0.77) ALDH1A1MAPTKMT2ARAB9AMEN1
SCHEMBL6270935 0.74 ALDH1A1 (0.77) ALDH1A1MAPTKMT2ARAB9AMEN1

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
US-5741819-A THROMBOSIS INHIBITORS; ANTIINFLAMMATORY AGENTS; NEURODEGENERATIVE DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed