SCHEMBL9058665

SCHEMBL9058665

CCOC(=O)Oc1cn(-c2cccc(N3CCOCC3)c2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.40
JMJD6 Q6NYC1 1/20 0.38
SETD2 Q9BYW2 1/20 0.37
P2RX7 Q99572 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 2/20 0.35
CCKAR P32238 2/20 0.35
CSF1R P07333 1/20 0.35
LDHA P00338 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35
GAA P10253 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
SCHEMBL9058514 0.89 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9058704 0.88 KMO (0.40) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL10587033 0.85 GABRA2 (0.41) KDM4EALDH1A1HPGD
SCHEMBL8130696 0.82 GABRA2 (0.42) KMT2AALDH1A1LMNA
SCHEMBL7103475 0.78 EPHA2 (0.42) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9057768 0.78 CSF1R (0.36) KMT2AALDH1A1CSF1R
SCHEMBL8801238 0.78 HDAC1 (0.36) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL9058432 0.76 HPGD (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7823482 0.76 LMNA (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7095727 0.75 DPP4 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT

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
WO-1996002540-A1 HETEROCYCLYL-1-PHENYL SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed