SCHEMBL14101814

SCHEMBL14101814

C=Cc1cc(NS(C)(=O)=O)cc(-c2nn(-c3cc(N4CCOCC4)ccc3N=O)c(=O)c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
HTT P42858 5/20 0.42
MAPT P10636 4/20 0.42
HTR6 P50406 1/20 0.42
CREBBP Q92793 2/20 0.39
USP2 O75604 2/20 0.39
BRD4 O60885 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4719580 0.87 MAPT (0.59) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL14102068 0.85 SMN1; SMN2 (0.45) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL14101752 0.82 SMN1; SMN2 (0.42) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL14102060 0.81 SMN1; SMN2 (0.56) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL14101931 0.77 SMN1; SMN2 (0.54) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL4719260 0.77 MAPT (0.65) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL4722094 0.77 MAPT (0.58) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL14101758 0.77 MAPT (0.50) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL4724141 0.77 SMN1; SMN2 (0.52) SMN1; SMN2GAAHTTMAPTHTR6
SCHEMBL4723490 0.76 MAPT (0.61) SMN1; SMN2GAAHTTMAPTHTR6

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed