SCHEMBL9837359

SCHEMBL9837359

CCSc1nc2c(cc1F)c(=O)c(C(=O)O)cn2CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.60
CYP2C9 P11712 1/20 0.60
ATP6V1B2 P21281 1/20 0.60
TBXA2R P21731 1/20 0.60
EDNRA P25101 1/20 0.60
TARBP2 Q15633 1/20 0.60
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ABCC4 O15439 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
TSHR P16473 4/20 0.52
HIF1A Q16665 1/20 0.52
CASP1 P29466 1/20 0.48
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 9/20 0.46
HPGD P15428 8/20 0.46
HSD17B10 Q99714 8/20 0.46
ALDH1A1 P00352 7/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL9684716 0.84 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11283163 0.84 LMNA (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9837381 0.82 DPP4 (0.54) LMNACYP2C9ABCC4KDM4EHPGD
SCHEMBL6241091 0.82 LMNA (0.63) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10983165 0.82 LMNA (0.63) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL12665440 0.80 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Fluoride SCHEMBL5144825 0.80 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL26193675 0.80 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5144832 0.79 LMNA (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10413973 0.79 LMNA (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed