SCHEMBL9686933

SCHEMBL9686933

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C4C=CCC4)CC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2C9 P11712 1/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
KMT2A Q03164 1/20 0.44
DPP4 P27487 6/20 0.43
CHRM2 P08172 1/20 0.42
DRD1 P21728 1/20 0.42
EPHA2 P29317 1/20 0.41
FLT4 P35916 1/20 0.41
GSK3B P49841 1/20 0.41
RARB P10826 1/20 0.41
TBXAS1 P24557 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 6/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40

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
SCHEMBL5083795 0.83 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686268 0.82 ALDH1A1 (0.52) LMNACYP2C9KMT2AKDM4EHSD17B10
SCHEMBL10700760 0.81 PRKCA (0.35) KMT2A
SCHEMBL9686851 0.80 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL16121064 0.80 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686377 0.80 LMNA (0.52) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685896 0.79 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9044442 0.79 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686011 0.79 KMT2A (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685690 0.79 KMT2A (0.49) 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