SCHEMBL9684577

SCHEMBL9684577

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
CYP2C9 P11712 1/20 0.59
ATP6V1B2 P21281 1/20 0.59
TBXA2R P21731 1/20 0.59
EDNRA P25101 1/20 0.59
TARBP2 Q15633 1/20 0.59
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.41
STAT3 P40763 1/20 0.38
MEN1 O00255 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
TOP2A P11388 1/20 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
SCHEMBL2093691 0.92 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11026728 0.87 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686851 0.86 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11277560 0.85 LMNA (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL2095446 0.85 KMT2A (0.44) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9775972 0.84 LMNA (0.42) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9685446 0.82 JAK2 (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5571971 0.82 KMT2A (0.57) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686413 0.81 STAT3 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL501306 0.80 KMT2A (0.46) LMNAALDH1A1KDM4EHPGDHSD17B10

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