SCHEMBL9687444

SCHEMBL9687444

O=C(Cl)Oc1cc([N+](=O)[O-])c(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ GPR35 Q9HC97 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ JMJD7 P0C870 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10553167 0.78 HTT (0.42) HTTATMVCAM1GPR35CASP1
SCHEMBL9687498 0.75 CHRNB2 (0.38) LMNAATML3MBTL1MAPT
Hydrochloric Acid SCHEMBL10553172 0.73 KEAP1 (0.51) HTTATMVCAM1GPR35MAPT
SCHEMBL29169624 0.73 MAPT (0.35) LMNAVCAM1GPR35MAPTSMN1; SMN2
SCHEMBL9687533 0.73 KEAP1 (0.55) CASP1
SCHEMBL3462389 0.72 ALDH1A1 (0.50) LMNAHTTL3MBTL1POLBMAPT
SCHEMBL29757749 0.71 TSHR (0.45) LMNAHTTVCAM1GPR35L3MBTL1
SCHEMBL56541 0.71 TSHR (0.45) LMNAHTTVCAM1GPR35L3MBTL1
SCHEMBL31283123 0.69 ALDH1A1 (0.56) SENP8SENP7SENP6HTTGPR35
SCHEMBL223281 0.69 ALDH1A1 (0.56) SENP8SENP7SENP6HTTGPR35

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-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 — — EP disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 — — EP disclosed
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