SCHEMBL9686413

SCHEMBL9686413

CCOC(=O)c1cn(C(C)(C)C)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.47
KDM4E B2RXH2 7/20 0.45
HPGD P15428 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
KMT2A Q03164 3/20 0.45
PMP22 Q01453 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
LMNA P02545 2/20 0.42
BRD4 O60885 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
CYP2J2 P51589 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATP6V1B2 P21281 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL9686472 0.86 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9635375 0.85 KDM4E (0.62) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL501244 0.84 STAT3 (0.59) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9775972 0.84 LMNA (0.42) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6776958 0.84 ADRB2 (0.59) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL11182877 0.84 KDM4E (0.53) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9684577 0.81 LMNA (0.59) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8135128 0.79 KMT2A (0.49) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9749766 0.79 KDM4E (0.46) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL10895468 0.78 ALDH1A1 (0.57) STAT3KDM4EHPGDALDH1A1HSD17B10

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