SCHEMBL7675313

SCHEMBL7675313

O=C(O)c1cc(O)nc(-c2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.63
MCL1 Q07820 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NTSR1 P30989 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
PDE10A Q9Y233 1/20 0.49
LDHA P00338 1/20 0.49
ADORA1 P30542 4/20 0.47
TP53 P04637 1/20 0.47
DHODH Q02127 1/20 0.46
CHEK1 O14757 1/20 0.45
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 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
SCHEMBL4259978 0.88 CTRC (0.77) CTRCMCL1MEN1KMT2ANTSR1
SCHEMBL7675294 0.80 CTRC (0.71) CTRCMCL1MEN1KMT2ANTSR1
SCHEMBL20346112 0.80 CTRC (0.61) CTRCMCL1MEN1KMT2AKDM4E
SCHEMBL18363001 0.80 CTRC (0.61) CTRCMCL1MEN1KMT2AKDM4E
SCHEMBL10916829 0.77 MCL1 (0.76) CTRCMCL1DHODHALDH1A1
SCHEMBL10917470 0.77 CTRC (1.00) CTRCMCL1MEN1KMT2AKDM4E
Citrazinic Acid SCHEMBL185046 0.77 TSHR (0.56) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL21652703 0.77 CTRC (0.58) CTRCMCL1DHODHCHEK1ALDH1A1
SCHEMBL12551315 0.76 CTRC (0.61) CTRCMCL1MEN1KMT2ANTSR1
SCHEMBL3307656 0.76 MEN1 (0.68) MEN1KMT2ANTSR1KDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1146542-C Benzamide derivatives and their use as cytokine inhibitors 2004-04-21 CN disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 CN disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed