SCHEMBL9684716

SCHEMBL9684716

CCSc1nc2c(cc1F)c(=O)c(C(=O)O)cn2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ABCC4 O15439 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
DRD3 P35462 1/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36

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
SCHEMBL9685866 0.87 KMT2A (0.44) LMNATOP2ATOP2BKMT2AMEN1
SCHEMBL9837359 0.84 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10330770 0.81 TOP2A (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837381 0.81 DPP4 (0.54) LMNACYP2C9TOP2ATOP2BABCC4
SCHEMBL5874071 0.80 KEAP1 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685735 0.80 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775979 0.73 TOP2A (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686851 0.73 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685180 0.73 DPP4 (0.53) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8083191 0.73 KEAP1 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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