SCHEMBL11788000

SCHEMBL11788000

CNC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.74
MEN1 O00255 8/20 0.74
MAPT P10636 7/20 0.74
ALDH1A1 P00352 7/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
KCNH2 Q12809 1/20 0.74
POLB P06746 4/20 0.63
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.52
ABCG2 Q9UNQ0 4/20 0.49
GAA P10253 1/20 0.49
BAZ1A Q9NRL2 1/20 0.48
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
CTDSP1 Q9GZU7 2/20 0.47
DDX3X O00571 1/20 0.47
PPIA P62937 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
SCHEMBL5250932 0.86 MEN1 (0.80) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL3604286 0.86 KMT2A (0.74) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL5250046 0.85 MEN1 (0.78) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL5249571 0.85 MAPT (1.00) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22492830 0.85 MAPT (0.73) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22492743 0.84 MEN1 (0.71) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL11802310 0.82 MAPT (0.66) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL11790155 0.82 KMT2A (0.69) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL11762199 0.80 AKR1C3 (0.58) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL21069538 0.77 ALDH1A1 (0.65) KMT2AMEN1MAPTALDH1A1NPC1

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-3984415-A ANTIINFLAMMATORY, ANTI-ULCERATIVE, ANALGETIC, ANTIPYRETIC, ANTIHISTAMINIC AND CNS DEPRESSANTS HISAMITSU PHARMACEUTICAL CO., INC. (JA) 1976-10-05 US disclosed