SCHEMBL21233161

SCHEMBL21233161

Cc1c(-c2ncno2)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.39
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL22952430 0.78 CYP11B2 (0.31) CYP11B2
SCHEMBL26765907 0.73 CYP11B2 (0.40) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL21233282 0.71 KDM4E (0.43) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL26776554 0.70 CYP11B2 (0.38) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL21233156 0.69 CYP11B2 (0.43) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL26195686 0.69 CYP11B2 (0.44) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL21233354 0.68 CYP11B2 (0.42) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL20507210 0.68 KDM4E (0.42) CYP11B2ALDH1A1KDM4EPOLBGAA
SCHEMBL21233163 0.68 TSHR (0.44) CYP11B2MAPK1ALDH1A1KDM4EPOLB
SCHEMBL21233180 0.68 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2

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-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
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
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