SCHEMBL9837639

SCHEMBL9837639

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4Cc3ccccc3)c(F)c21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 2/20 0.54
PMP22 Q01453 1/20 0.53
TOP1 P11387 9/20 0.47
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
CHRM1 P11229 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL9837357 0.91 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9838745 0.87 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9838719 0.85 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9838607 0.82 KDM4E (0.57) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9837339 0.81 TOP2A (0.49) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL9838758 0.80 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9837602 0.80 HSD17B10 (0.64) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9838764 0.79 KDM4E (0.59) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9837294 0.78 KDM4E (0.64) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL9838688 0.78 TOP2A (0.47) KDM4EHPGDALDH1A1HSD17B10LMNA

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