SCHEMBL10696786

SCHEMBL10696786

O=C(O)Oc1c[nH]c2c(C3(Cl)CC3)c(N3CCN(CCO)CC3)c(F)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NSD2 O96028 1/20 0.31
PABPC1 P11940 1/20 0.31

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
SCHEMBL10696773 0.88 KDM4E (0.39) HTR6KDM4EALDH1A1HPGD
SCHEMBL4758703 0.76 KDM4E (0.38) KDM4EALDH1A1HPGD
SCHEMBL9626409 0.76 KDM4E (0.40) KDM4EALDH1A1HPGD
SCHEMBL8559738 0.76 KDM4E (0.39) KDM4EALDH1A1HPGD
SCHEMBL10924522 0.74 MEN1 (0.48) KDM4EALDH1A1
SCHEMBL5507782 0.72 KDM4E (0.41) KDM4EALDH1A1HPGD
SCHEMBL5736019 0.70 KDM4E (0.41) KDM4EALDH1A1HPGD
SCHEMBL8559728 0.69 ALDH1A1 (0.52) ALDH1A1
SCHEMBL9335091 0.68 KDM4E (0.36) KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8564292 0.68 ALDH1A1 (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264050-A2 7-Amino-1-cyclopropyl-8-chloro-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1988-04-20 EP claimed