SCHEMBL9626317

SCHEMBL9626317

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4(F)F)c3c2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALB P02768 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
POLB P06746 2/20 0.58
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
SLC47A1 Q96FL8 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58

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
SCHEMBL10749384 0.91 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9626329 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9626544 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL312998 0.87 ALDH1A1 (0.72) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10584002 0.87 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL965843 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL965844 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9267055 0.85 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9545860 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL27323002 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10ALB

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-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP claimed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP disclosed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed