SCHEMBL11220965

SCHEMBL11220965

Cc1cc(-c2ccc([N+](=O)[O-])c(N)c2)cc(C)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
TSHR P16473 4/20 0.51
POLB P06746 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
SIRT6 Q8N6T7 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 4/20 0.41
RECQL P46063 2/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 1/20 0.40
GALR3 O60755 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3973537 0.84 MAPT (0.69) MAPTTDP1TSHRPOLBMEN1
SCHEMBL11380828 0.81 GPR35 (0.50) MAPTTDP1TSHRPOLBMEN1
SCHEMBL11255838 0.77 MAPT (0.51) MAPTTDP1TSHRPOLBMEN1
SCHEMBL13735401 0.77 MAPT (0.55) MAPTTDP1TSHRPOLBMEN1
SCHEMBL11232850 0.76 MAPT (0.40) MAPTTDP1TSHRPOLBMEN1
SCHEMBL10714696 0.76 TDP1 (0.63) MAPTTDP1TSHRPOLBMEN1
SCHEMBL31570099 0.76 MAPT (0.58) MAPTTDP1TSHRPOLBMEN1
SCHEMBL720554 0.76 MAPT (0.58) MAPTTDP1TSHRPOLBMEN1
SCHEMBL4591495 0.75 TSHR (0.49) MAPTTDP1TSHRPOLBMEN1
SCHEMBL11186697 0.75 TDP1 (0.61) TDP1TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed