SCHEMBL9838745

SCHEMBL9838745

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4CCO)c(F)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
HSD17B10 Q99714 6/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
PMP22 Q01453 1/20 0.55
DRD3 P35462 1/20 0.43
KCNH2 Q12809 3/20 0.42
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP2J2 P51589 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.39
ADRA2B P18089 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.39

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 0.93 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9838719 0.89 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9839364 0.89 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9837639 0.87 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9838607 0.84 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9838764 0.83 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9838758 0.83 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9866403 0.81 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9837602 0.80 HSD17B10 (0.64) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9837294 0.79 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDPMP22

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