SCHEMBL8745966

SCHEMBL8745966

C=CCNC(=O)OC(c1cnccn1)c1cc(Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGFBR1 P36897 6/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
ACVRL1 P37023 5/20 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
SCHEMBL8745959 0.82 HPGD (0.41) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL8745952 0.81 HPGD (0.42) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL8745943 0.78 NOTUM (0.37) HPGDPOLBALDH1A1KDM4ENPC1
SCHEMBL8745932 0.78 NOTUM (0.36) HPGDALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL8745919 0.68 HPGD (0.41) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL9028966 0.67 HPGD (0.36) HPGDCYP1A2LMNAALDH1A1RAB9A
SCHEMBL8745912 0.65 NOTUM (0.40) POLBLMNATHRBKDM4ENPC1
SCHEMBL8745948 0.65 POLB (0.39) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL8745913 0.65 NOTUM (0.36) HPGDPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL8745936 0.65 KCNA5 (0.35) POLBCYP1A2CYP3A4CYP2C19LMNA

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