SCHEMBL8745959

SCHEMBL8745959

C=CCNC(=O)OC(c1cnccn1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
MCL1 Q07820 1/20 0.36
KCNK3 O14649 1/20 0.36
ATM Q13315 1/20 0.35
CTSA P10619 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL8745943 0.87 NOTUM (0.37) HPGDALDH1A1KDM4ECTSAGAA
SCHEMBL8745919 0.86 HPGD (0.41) HPGDCYP1A2HSD17B10CYP3A4CYP2C19
SCHEMBL8745932 0.85 NOTUM (0.36) HPGDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL8745952 0.84 HPGD (0.42) HPGDCYP1A2LMNAALDH1A1CYP3A4
SCHEMBL8745966 0.82 HPGD (0.37) HPGDCYP1A2LMNAALDH1A1CYP3A4
SCHEMBL9028966 0.76 HPGD (0.36) HPGDCYP1A2LMNAALDH1A1ITGB1
SCHEMBL8745917 0.75 HPGD (0.41) HPGDCYP1A2HSD17B10CYP3A4CYP2C19
SCHEMBL8745912 0.73 NOTUM (0.40) LMNAKDM4EKCNK3GAASMN1; SMN2
SCHEMBL8745948 0.73 POLB (0.39) HPGDCYP1A2LMNAALDH1A1CYP3A4
SCHEMBL8745957 0.73 SMN1; SMN2 (0.36) HPGDLMNAALDH1A1KDM4EGAA

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-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed