SCHEMBL21241201

SCHEMBL21241201

Cc1c(-c2nnc[nH]2)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
APOBEC3A P31941 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22952458 0.78 CYP11B2 (0.31) CYP11B2
SCHEMBL21233273 0.71 CYP11B2 (0.39) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21240968 0.71 BRD4 (0.42) CYP11B2BRD4CREBBPALDH1A1KDM4E
SCHEMBL21241208 0.69 IDO1 (0.45) CYP11B2BRD4ALDH1A1
SCHEMBL21233172 0.68 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL21241223 0.68 IDO1 (0.40) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL13184124 0.66 APOBEC3G (0.43) ALDH1A1GAASMN1; SMN2
SCHEMBL21233275 0.66 CYP11B2 (0.40) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21233158 0.66 CYP11B2 (0.44) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21240976 0.66 CYP11B2 (0.40) CYP11B2BRD4CREBBPPRMT5WDR77

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