SCHEMBL16900176

SCHEMBL16900176

Cc1cccc(Nc2nc(C)ccc2[N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44

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
SCHEMBL10810171 0.85 GSK3B (0.58) SMN1; SMN2HPGDL3MBTL1MAPTTDP1
SCHEMBL7880687 0.83 BRD4 (0.43) RAB9ASMN1; SMN2NPC1HPGDSTAT1
Hydrochloric Acid SCHEMBL7876724 0.82 BRD4 (0.43) RAB9ASMN1; SMN2NPC1HPGDSTAT1
SCHEMBL6796759 0.81 MAPT (0.56) RAB9ASMN1; SMN2NPC1HPGDSTAT1
SCHEMBL6389733 0.80 GSK3B (0.43) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL19958511 0.79 PIN1 (0.72) RAB9ASMN1; SMN2NPC1HPGDSTAT1
SCHEMBL12100780 0.78 RAB9A (0.56) RAB9ASMN1; SMN2NPC1HPGDSTAT1
SCHEMBL12786875 0.77 FBP1 (0.59) RAB9ASMN1; SMN2NPC1HPGDSTAT1
SCHEMBL29531896 0.76 FGFR4 (0.48) HPGDL3MBTL1TDP1ALDH1A1HSF1
SCHEMBL15179553 0.76 RAB9A (0.50) RAB9ASMN1; SMN2NPC1HPGDSTAT1

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
US-9079897-B2 Imidazo-pyridine derivatives as activin-like receptor kinase (ALK4 or ALK5) inhibitors NOVARTIS AG (CH) 2015-07-14 — — US disclosed
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