SCHEMBL9837602

SCHEMBL9837602

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4)c(F)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.64
KDM4E B2RXH2 5/20 0.64
HPGD P15428 5/20 0.64
ALDH1A1 P00352 4/20 0.64
PMP22 Q01453 1/20 0.62
LMNA P02545 3/20 0.44
BRD4 O60885 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
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
DRD3 P35462 1/20 0.43
KCNH2 Q12809 3/20 0.42
POLB P06746 2/20 0.42
PRKD3 O94806 1/20 0.42

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
SCHEMBL9837294 0.92 KDM4E (0.64) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9866672 0.90 KDM4E (0.61) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9838559 0.88 KDM4E (0.49) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9378328 0.85 KCNH2 (0.55) HSD17B10KDM4EHPGDALDH1A1LMNA
SCHEMBL9837322 0.85 KDM4E (0.60) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL10391017 0.85 KDM4E (0.45) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9837357 0.84 KDM4E (0.60) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9838719 0.83 KDM4E (0.59) HSD17B10KDM4EHPGDALDH1A1PMP22
SCHEMBL9749465 0.83 KDM4E (0.61) HSD17B10KDM4EHPGDALDH1A1LMNA
SCHEMBL9750330 0.82 KDM4E (0.46) HSD17B10KDM4EHPGDALDH1A1PMP22

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 5 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 claimed
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 claimed
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