SCHEMBL7442005

SCHEMBL7442005

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.74
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
TP53 P04637 1/20 0.72
CA1 P00915 2/20 0.64
PTPN1 P18031 2/20 0.64
TAAR1 Q96RJ0 1/20 0.58
ACE P12821 2/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
BACE1 P56817 1/20 0.56
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54

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
SCHEMBL7442014 1.00 CA2 (0.74) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4366751 0.91 CA2 (0.67) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27659000 0.91 CA2 (0.67) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4364568 0.90 CA2 (0.65) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27679115 0.90 CA2 (0.65) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL11921824 0.88 CA2 (0.77) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6938746 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6850655 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL8588574 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53
SCHEMBL7971423 0.88 CA2 (0.59) CA2NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed