SCHEMBL21233338

SCHEMBL21233338

Cc1c(-c2cncnc2)cnn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.51
BRD4 O60885 3/20 0.44
CREBBP Q92793 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
APOBEC3A P31941 1/20 0.34
ATM Q13315 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HIF1A Q16665 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL12175373 0.75 CREBBP (0.62) CYP11B2BRD4CREBBPMAPK1KDM4E
SCHEMBL15345127 0.75 CYP11B2 (0.66) CYP11B2BRD4CREBBPMKNK1MKNK2
SCHEMBL22952451 0.75 CYP11B2 (0.40) CYP11B2
SCHEMBL21233354 0.73 CYP11B2 (0.42) CYP11B2BRD4CREBBPMKNK1MKNK2
SCHEMBL19537424 0.73 CYP11B2 (0.50) CYP11B2BRD4CREBBPMKNK1MKNK2
SCHEMBL12651134 0.72 CYP11B2 (0.62) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21233156 0.71 CYP11B2 (0.43) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21233343 0.71 CYP11B2 (0.51) CYP11B2BRD4CREBBPMKNK1MKNK2
SCHEMBL21233283 0.71 CYP11B2 (0.51) CYP11B2BRD4CREBBPMKNK1MKNK2
SCHEMBL21233196 0.71 CYP11B2 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
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