SCHEMBL9636620

SCHEMBL9636620

O=C(O)Oc1cn(C2CC2)c2c(F)c(N3CCNC(c4ccc(Cl)cc4)C3)c(Cl)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
KCNH2 Q12809 4/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
PMP22 Q01453 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 6/20 0.36
TOP2A P11388 1/20 0.35

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
SCHEMBL9636225 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9636408 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9636176 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9634926 0.94 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9669421 0.93 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9636155 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL8434112 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL10647454 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL10863653 0.86 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL8435505 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed