SCHEMBL11237253

SCHEMBL11237253

Cc1cncc(C)c1-c1ccc([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
PIN1 Q13526 3/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
PDE7A Q13946 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MERTK Q12866 1/20 0.35
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL11240092 0.83 TSHR (0.39) HSD17B10ALDH1A1TSHRTDP1CYP3A4
SCHEMBL11234732 0.82 PDE7A (0.38) HSD17B10PIN1MAPK1ALDH1A1HTT
SCHEMBL18319705 0.77 ERN1 (0.43) ALDH1A1LMNATSHRTDP1MAPT
SCHEMBL30574931 0.76 CTSB (0.53) HSD17B10PIN1MAPK1ALDH1A1LMNA
SCHEMBL136263 0.76 CTSB (0.53) HSD17B10PIN1MAPK1ALDH1A1LMNA
SCHEMBL11239468 0.75 ABCG2 (0.41) MAPK1ALDH1A1LMNAHTTTSHR
SCHEMBL11234631 0.74 PDE7A (0.50) MAPK1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL11226790 0.74 NPC1 (0.47) MAPK1ALDH1A1LMNACYP3A4NPC1
SCHEMBL16520976 0.73 KMO (0.44) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL4663094 0.72 ALDH1A1 (0.46) PIN1ALDH1A1TDP1PDE7ASMN1; SMN2

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
US-4317909-A Preparation of 1,3-dihydro-5-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones STERLING DRUG INC. (US) 1982-03-02 US disclosed
US-4294836-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]-pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed