SCHEMBL9685461

SCHEMBL9685461

NCc1ccc(CN2CCCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.56
ACHE P22303 4/20 0.55
BCHE P06276 3/20 0.55
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL7379184 0.80 HRH3 (0.59) PRMT6ACHEALDH1A1HTTHRH3
SCHEMBL1934369 0.80 ALDH1A1 (0.65) PRMT6ALDH1A1HTTHRH3SMN1; SMN2
SCHEMBL23692383 0.79 ALDH1A1 (0.69) PRMT6ACHEBCHEALDH1A1HTT
SCHEMBL31260442 0.79 HRH3 (0.53) PRMT6ACHEBCHEALDH1A1HTT
SCHEMBL5593151 0.78 ACHE (0.68) ACHEBCHEALDH1A1HTTHRH3
SCHEMBL5722022 0.78 ALDH1A1 (0.58) PRMT6ACHEBCHEALDH1A1HTT
SCHEMBL30334815 0.78 ALDH1A1 (0.72) ACHEBCHEALDH1A1HTTHRH3
SCHEMBL10061486 0.78 PRMT6 (0.57) PRMT6ACHEALDH1A1HTTHRH3
SCHEMBL20238021 0.77 ALDH1A1 (0.60) PRMT6ALDH1A1HTTHRH3SMN1; SMN2
SCHEMBL30334972 0.76 ALDH1A1 (0.64) ACHEBCHEALDH1A1HTTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed