SCHEMBL11763569

SCHEMBL11763569

CCNC(=O)c1ccccc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.57
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
AKR1C3 P42330 2/20 0.55
AKR1C2 P52895 2/20 0.55
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
DDX3X O00571 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CXCR2 P25025 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL11765011 0.91 ABCG2 (0.55) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11763825 0.87 AKR1C3 (0.52) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11762199 0.86 AKR1C3 (0.58) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11760920 0.86 ALDH1A1 (0.62) MAPTALDH1A1AKR1C3AKR1C2CTSV
SCHEMBL11767831 0.86 ABCG2 (0.48) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11764491 0.85 MAPT (0.52) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11760951 0.85 RXFP1 (0.51) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL11765507 0.84 POLB (0.56) ABCG2MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL29779874 0.83 AKR1C3 (0.67) MAPTALDH1A1AKR1C3AKR1C2CTSV
SCHEMBL11763360 0.82 SMN1; SMN2 (0.57) ABCG2MAPTALDH1A1AKR1C3AKR1C2

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
US-4016166-A ANTIINFLAMMATORY AGENTS, ANALGESICS, CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1977-04-05 US disclosed