SCHEMBL21241158

SCHEMBL21241158

Cc1c(-c2c[nH]nn2)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
BRD4 O60885 2/20 0.36
HIF1A Q16665 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
APOBEC3A P31941 1/20 0.34
CREBBP Q92793 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
TTK P33981 1/20 0.30

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
SCHEMBL22952465 0.78 HIF1A (0.33) CYP11B2KDM4EHIF1ASMN1; SMN2
SCHEMBL21240976 0.73 CYP11B2 (0.40) CYP11B2KDM4EALDH1A1BRD4GAA
SCHEMBL21233194 0.71 CYP11B2 (0.42) CYP11B2KDM4EALDH1A1BRD4HIF1A
SCHEMBL30574716 0.71 KDR (0.39) BRD4HIF1ACREBBP
SCHEMBL21233344 0.69 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21233196 0.69 CYP11B2 (0.47) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21233198 0.68 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1BRD4GAA
SCHEMBL21233199 0.68 POLB (0.42) CYP11B2KDM4EALDH1A1BRD4GAA
SCHEMBL16658812 0.68 GAA (0.47) CYP11B2KDM4EALDH1A1GAAPRMT5
SCHEMBL21233273 0.68 CYP11B2 (0.39) CYP11B2KDM4EALDH1A1BRD4GAA

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-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed