SCHEMBL11220980

SCHEMBL11220980

CCc1cc(-c2ccc([N+](=O)[O-])c(NC(C)=O)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PIK3C3 Q8NEB9 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
MAPT P10636 4/20 0.41
PDE7A Q13946 1/20 0.41
ABCB1 P08183 2/20 0.40
SREBF2 Q12772 1/20 0.40
HTT P42858 1/20 0.40
ABCC1 P33527 1/20 0.39
WNT3A P56704 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
SCHEMBL11225688 0.88 KMT2A (0.44) KMT2ANPSR1SMN1; SMN2ALDH1A1POLB
SCHEMBL11225695 0.85 PIK3C3 (0.48) KMT2ANPSR1SMN1; SMN2PIK3C3ALDH1A1
SCHEMBL11233932 0.82 HDAC1 (0.48) KMT2ANPSR1POLBMAPTPDE7A
SCHEMBL11371949 0.80 GPR35 (0.44) KMT2ASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11224373 0.77 MAPT (0.47) KMT2ANPSR1SMN1; SMN2ALDH1A1POLB
SCHEMBL11258958 0.77 MAPT (0.46) KMT2ASMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL11224469 0.77 PIK3C3 (0.44) KMT2ANPSR1SMN1; SMN2PIK3C3ALDH1A1
SCHEMBL11277648 0.77 MAPT (0.53) KMT2ANPSR1PIK3C3POLBMAPT
SCHEMBL11223992 0.76 ALDH1A1 (0.42) KMT2ANPSR1SMN1; SMN2PIK3C3ALDH1A1
SCHEMBL11224541 0.76 ABCB1 (0.54) KMT2AALDH1A1HPGDMAPTABCB1

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