SCHEMBL8745972

SCHEMBL8745972

OC(c1cnccn1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MCL1 Q07820 1/20 0.41
KCNA5 P22460 3/20 0.41
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CYP19A1 P11511 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRKDC P78527 1/20 0.36
KCNH2 Q12809 1/20 0.36
IGFBP3 P17936 1/20 0.35
KCNK3 O14649 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
SCHEMBL8745916 0.80 GAA (0.59) HPGDHSD17B10KDM4ECYP19A1IDO1
SCHEMBL11685401 0.80 GAA (0.41) HPGDHSD17B10KDM4ECYP1A2CYP3A4
SCHEMBL8745920 0.76 PIEZO1 (0.38) KCNA5CYP3A4GAAPRKDCKCNH2
SCHEMBL8753255 0.75 SMN1; SMN2 (0.58) HPGDKCNA5KDM4EGAASMN1; SMN2
SCHEMBL8745958 0.75 GAA (0.42) HPGDHSD17B10MCL1KCNA5KDM4E
SCHEMBL11632311 0.75 GAA (0.66) HPGDHSD17B10KCNA5CYP19A1GAA
SCHEMBL28994021 0.74 KDM4C (0.42) HPGDHSD17B10CYP2C19KDM4EKDM4C
SCHEMBL29976363 0.73 ADRB2 (0.48) CYP2C19KDM4EIDO1TDO2CYP3A4
SCHEMBL230382 0.73 ADRB2 (0.48) CYP2C19KDM4EIDO1TDO2CYP3A4
SCHEMBL4705342 0.72 HPGD (0.41) HPGDHSD17B10KCNA5CYP2C19KDM4C

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
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed