SCHEMBL9850820

SCHEMBL9850820

O=C(O)CCSc1ccncc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MAPT P10636 1/20 0.60
SLC22A12 Q96S37 4/20 0.47
APEX1 P27695 1/20 0.42
GSTP1 P09211 5/20 0.40
GSTM2 P28161 5/20 0.40
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL24477370 0.81 CA2 (0.54) ALDH1A1MAPTGSTP1GSTM2CA2
SCHEMBL16702471 0.81 HASPIN (0.45) ALDH1A1MAPTCA2POLBSMN1; SMN2
SCHEMBL8941933 0.79 ALDH1A1 (0.67) ALDH1A1MAPTAPEX1CYP1A2POLB
SCHEMBL16712939 0.77 ALDH1A1 (0.42) ALDH1A1MAPTPOLBTSHRMAPK1
SCHEMBL27460398 0.77 ALDH1A1 (0.36) ALDH1A1MAPTGSTP1GSTM2CA2
SCHEMBL7919 0.76 SLC22A12 (0.56) ALDH1A1MAPTSLC22A12APEX1CYP1A2
SCHEMBL9050843 0.75 MAPT (1.00) ALDH1A1MAPTAPEX1CA2CYP1A2
SCHEMBL10681839 0.75 MEN1 (0.56) ALDH1A1MAPTGSTP1GSTM2CA2
SCHEMBL1137534 0.74 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL15801080 0.74 ALDH1A1 (0.72) ALDH1A1MAPTAPEX1GSTP1GSTM2

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-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed