SCHEMBL9650786

SCHEMBL9650786

CCOC(=O)c1cc([N+](=O)[O-])c(C)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
LMNA P02545 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 3/20 0.46
AR P10275 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 7/20 0.45
NPC1 O15118 4/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL9650225 0.98 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2POLB
Potassium Ion SCHEMBL9650212 0.98 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL1775446 0.85 ALOX15 (0.48) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL27074412 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL7559710 0.82 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL2661752 0.78 XDH (0.49) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL28844710 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL18332147 0.77 ALDH1A1 (0.58) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL1277858 0.77 RAB9A (0.52) ALDH1A1LMNAHPGDSMN1; SMN2POLB
SCHEMBL13684585 0.76 CDK1 (0.50) ALDH1A1LMNAHPGDSMN1; SMN2POLB

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-0517225-A1 Aminopyrrolidine platinum compounds, a process for preparing them and pharmaceutical compositions containing them FERRER INTERNACIONAL, S.A. (ES) 1992-12-09 EP disclosed