SCHEMBL9524669

SCHEMBL9524669

O=C(Nc1cccc([N+](=O)[O-])c1)Oc1nnc2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
POLB P06746 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
TNF P01375 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
NOD1 Q9Y239 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 2/20 0.49
DDX3X O00571 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.47
BLM P54132 1/20 0.45
NSD2 O96028 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
SCHEMBL9525680 0.82 HTT (0.43) KMT2AMAPTRAB9AHTTSMN1; SMN2
SCHEMBL9523908 0.82 HPGD (0.46) KMT2AMAPTMEN1LMNARAB9A
SCHEMBL9527700 0.82 DDX3X (0.44) MAPTDDX3XSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9525178 0.82 NPC1 (0.43) KMT2APOLBMAPTMEN1LMNA
SCHEMBL9525725 0.82 KMT2A (0.49) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL9527660 0.82 ALDH1A1 (0.50) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL9524822 0.81 HIF1A (0.60) KMT2APOLBMAPTMEN1TNF
SCHEMBL9525121 0.80 FLT3 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9524899 0.79 MAPT (0.50) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL9524816 0.77 MEN1 (0.41) KMT2AMAPTMEN1LMNARAB9A

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
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed