SCHEMBL20019685

SCHEMBL20019685

CNC1(N(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ GFER P55789 1/20 0.40
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5561006 0.69 SMN1; SMN2 (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL23411786 0.67 KDM1A (0.47) ALDH1A1KMT2AKDM1AMAOBRCOR1
SCHEMBL12624024 0.66 GFER (0.56) ALDH1A1KMT2AGFERKDM1AMAOB
SCHEMBL17290928 0.64 KMT2A (0.47) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL12626285 0.63 ALDH1A1 (0.56) ALDH1A1KMT2AGFERKDM1AMAOB
SCHEMBL12623932 0.63 ALDH1A1 (0.56) ALDH1A1GFERKDM1AMAOBRCOR1
SCHEMBL3847472 0.63 ALDH1A1 (0.97) ALDH1A1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL16565682 0.63 KMT2A (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL4412411 0.63 KMT2A (0.74) ALDH1A1KMT2ASMN1; SMN2MEN1CA12
SCHEMBL6406510 0.62 MAPT (0.50) ALDH1A1KMT2AMAPTSMN1; SMN2NPC1

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-2918587-B1 Filamin A binding compounds and their use as anti-inflammatory and analgesic agents PAIN THERAPEUTICS INC (US) 2018-04-04 — — EP disclosed
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