SCHEMBL9686359

SCHEMBL9686359

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CN)C3)cc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.64
ALDH1A1 P00352 5/20 0.53
KCNH2 Q12809 2/20 0.53
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 1/20 0.50
DRD3 P35462 1/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
BRD4 O60885 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
CYP2J2 P51589 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9686811 0.88 TOP1 (0.51) TOP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL9045127 0.87 TOP1 (0.61) TOP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10621421 0.86 TOP1 (0.72) TOP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL9685536 0.85 ALDH1A1 (0.53) TOP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10900269 0.85 TOP1 (0.64) TOP1ALDH1A1KCNH2KDM4EHSD17B10
SCHEMBL8113154 0.85 KDM4E (0.67) TOP1ALDH1A1KCNH2KDM4EHSD17B10
SCHEMBL5080589 0.81 TOP1 (0.62) TOP1ALDH1A1KCNH2KDM4EHSD17B10
SCHEMBL10391042 0.81 KMT2A (0.53) TOP1ALDH1A1KCNH2KDM4EHSD17B10
SCHEMBL9685581 0.81 ALDH1A1 (0.55) ALDH1A1KCNH2KDM4EHSD17B10LMNA
SCHEMBL9686022 0.81 TOP1 (0.52) TOP1ALDH1A1KDM4EHSD17B10LMNA

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