SCHEMBL8745952

SCHEMBL8745952

C=CCNC(=O)OC(c1cnccn1)c1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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 0.84 HPGD (0.41) HPGDRAB9AGAAALDH1A1CYP1A2
SCHEMBL8745966 0.81 HPGD (0.37) HPGDRAB9AALDH1A1CYP1A2LMNA
SCHEMBL8745943 0.76 NOTUM (0.37) HPGDRAB9AGAAALDH1A1KDM4E
SCHEMBL8745932 0.75 NOTUM (0.36) HPGDGAAALDH1A1KDM4EKMT2A
SCHEMBL8745919 0.72 HPGD (0.41) HPGDRAB9ACYP1A2KDM4EPOLB
SCHEMBL8745958 0.70 GAA (0.42) HPGDRAB9AGAAALDH1A1KDM4E
SCHEMBL9028966 0.69 HPGD (0.36) HPGDRAB9AGAAALDH1A1CYP1A2
SCHEMBL8745948 0.64 POLB (0.39) HPGDRAB9AGAAALDH1A1CYP1A2
SCHEMBL8745912 0.64 NOTUM (0.40) RAB9AGAALMNAKDM4EPOLB
SCHEMBL8745957 0.63 SMN1; SMN2 (0.36) HPGDRAB9AGAAALDH1A1LMNA

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