SCHEMBL21233152

SCHEMBL21233152

Cc1c(-c2cncs2)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
TBXAS1 P24557 1/20 0.39
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
CD38 P28907 1/20 0.33
IMPDH2 P12268 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
APOBEC3A P31941 1/20 0.32
MAPK1 P28482 1/20 0.32
MAP3K7 O43318 1/20 0.32
KDR P35968 1/20 0.32
TAB1 Q15750 1/20 0.32
AURKB Q96GD4 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL22951414 0.77 TBXAS1 (0.36) CYP11B2TBXAS1CD38IMPDH2PDE10A
SCHEMBL21233347 0.73 KDM4E (0.43) CYP11B2CREBBPKDM4EALDH1A1POLB
SCHEMBL21233159 0.70 CYP11B2 (0.44) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL21233154 0.70 ALDH1A1 (0.41) CYP11B2BRD4CREBBPKDM4EALDH1A1
SCHEMBL21233332 0.69 TBXAS1 (0.41) CYP11B2TBXAS1CD38ALDH1A1PDE10A
SCHEMBL21233164 0.69 CYP11B2 (0.39) CYP11B2BRD4CREBBPKDM4EALDH1A1
SCHEMBL25235606 0.67 BRD4 (0.38) CYP11B2BRD4CREBBPKDM4EALDH1A1
SCHEMBL571374 0.67 HDAC8 (0.50) TBXAS1CD38IMPDH2PRMT5WDR77
SCHEMBL21233338 0.67 CYP11B2 (0.51) CYP11B2BRD4CREBBPPRMT5WDR77
SCHEMBL15345127 0.67 CYP11B2 (0.66) 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