SCHEMBL6974580

SCHEMBL6974580

CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.56
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
SUCNR1 Q9BXA5 2/20 0.49
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN11 Q06124 1/20 0.48
EIF4H Q15056 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL4831878 0.89 WDR5 (0.60) WDR5GAAALDH1A1HTTKMT2A
SCHEMBL6980775 0.84 SUCNR1 (0.52) GAAALDH1A1SUCNR1CHRM3
SCHEMBL7674600 0.81 KMT2A (0.56) WDR5ALDH1A1MEN1PABPC1DUSP3
SCHEMBL6974844 0.78 KMT2A (0.62) WDR5GAAALDH1A1HTTMEN1
SCHEMBL2716970 0.76 ALDH1A1 (0.73) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL27955759 0.76 HTT (0.57) WDR5GAAHTTKMT2A
SCHEMBL31721194 0.76 HPGDS (0.56) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL31721218 0.74 CHRM3 (0.61) SUCNR1KMT2ACHRM3
SCHEMBL6253308 0.74 ALDH1A1 (0.60) WDR5ALDH1A1HTTMEN1KMT2A
SCHEMBL4828091 0.73 HPGDS (0.59) SUCNR1CHRM3

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 6 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
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP 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