SCHEMBL6700631

SCHEMBL6700631

O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)ncn2-c1n[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GSK3B P49841 1/20 0.46
PPARG P37231 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TP53 P04637 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 1/20 0.42
ROCK2 O75116 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACKR3 P25106 1/20 0.41
MAPK3 P27361 1/20 0.41

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
SCHEMBL6664702 0.86 TP53 (0.54) LMNAMAPTHPGDMEN1KMT2A
SCHEMBL6702887 0.83 MAPK1 (0.49) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL6694288 0.83 TP53 (0.51) ALDH1A1MAPTHPGDTP53TDP1
SCHEMBL6699272 0.83 TP53 (0.51) LMNAMAPTMEN1KMT2APPARG
SCHEMBL6703136 0.82 TP53 (0.47) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6694919 0.80 TP53 (0.53) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL6664832 0.80 TP53 (0.54) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL6703840 0.78 TP53 (0.53) LMNAMAPTPPARGTP53TDP1
SCHEMBL6702873 0.77 TP53 (0.47) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5952925 0.76 FLT3 (0.54) ALDH1A1LMNAMAPTHPGDGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed