SCHEMBL10696773

SCHEMBL10696773

O=C(O)c1c[nH]c2c(C3(Cl)CC3)c(N3CCN(CCO)CC3)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.39
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 8/20 0.35
HPGD P15428 8/20 0.35
HSD17B10 Q99714 7/20 0.35
LMNA P02545 2/20 0.35
HTR6 P50406 1/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL10696786 0.88 HTR6 (0.34) KDM4EALDH1A1HPGDHTR6
SCHEMBL8559728 0.80 ALDH1A1 (0.52) ALDH1A1POLB
SCHEMBL9335091 0.79 KDM4E (0.36) KDM4EADRA2BMAPK1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL10914785 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL8564292 0.79 ALDH1A1 (0.51) ALDH1A1POLB
SCHEMBL10924522 0.78 MEN1 (0.48) KDM4EMAPK1ALDH1A1LMNAMAPT
SCHEMBL9335046 0.78 CSNK2A2 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10751705 0.77 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL2915199 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL10862782 0.77 KCNH2 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA

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