SCHEMBL7559710

SCHEMBL7559710

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AR P10275 1/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL9650786 0.82 ALDH1A1 (0.48) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
Potassium Ion SCHEMBL9650212 0.81 ALDH1A1 (0.47) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL9650225 0.81 ALDH1A1 (0.47) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL1775446 0.80 ALOX15 (0.48) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL27074412 0.80 ALDH1A1 (0.46) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL2495592 0.79 KDR (0.53) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL7562987 0.78 AR (0.42) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL16569634 0.77 ALDH1A1 (0.48) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL2661752 0.76 XDH (0.49) ALDH1A1POLBKMT2AHPGDSMN1; SMN2
SCHEMBL1277858 0.76 RAB9A (0.52) ALDH1A1POLBKMT2AHPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed