SCHEMBL4392069

SCHEMBL4392069

O=S(=O)(Nc1ccc(Cl)cc1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
FKBP1A P62942 6/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES1 P23141 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 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
SCHEMBL28211313 0.83 FKBP1A (0.71) FKBP1AGLAKMT2APOLBCA1
SCHEMBL4710815 0.83 HTR6 (0.51) FKBP1AGLAKMT2APOLBCA1
SCHEMBL654548 0.74 MAPT (1.00) MAPTUSP2KMT2APOLBIKBKB
Hydrochloric Acid SCHEMBL3253197 0.72 MAPT (0.96) MAPTUSP2KMT2APOLBIKBKB
SCHEMBL5304087 0.72 MAPT (0.87) MAPTUSP2KMT2APOLBIKBKB
SCHEMBL28211335 0.72 RYR2 (0.50) KMT2APOLB
SCHEMBL29978636 0.72 KMT2A (0.48) FKBP1AUSP2GLAKMT2APOLB
Hydrochloric Acid SCHEMBL28210781 0.71 RYR2 (0.49) MAPTKMT2A
Hydrochloric Acid SCHEMBL28210785 0.71 KMT2A (0.47) FKBP1AUSP2GLAKMT2APOLB
SCHEMBL3894981 0.70 L3MBTL1 (0.67) MAPTUSP2KMT2AHTR3EHTR3B

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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed