SCHEMBL9837409

SCHEMBL9837409

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3C4CCC3CC(N)C4)c(F)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
PMP22 Q01453 1/20 0.57
KCNH2 Q12809 4/20 0.49
POLB P06746 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
TOP1 P11387 2/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9838630 1.00 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9837418 0.87 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9375324 0.87 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8699900 0.82 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL8566204 0.81 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9749429 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9837590 0.80 LMNA (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9838598 0.80 LMNA (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10572143 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10574238 0.80 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22

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-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
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US 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