SCHEMBL11269746

SCHEMBL11269746

CCOC(=O)c1c(-c2ccccc2)n[nH]c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
PDE4D Q08499 1/20 0.59
ADORA3 P0DMS8 7/20 0.58
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL5173650 0.87 PDE4D (0.55) HPGDSSMN1; SMN2PDE4DADORA3KDM4E
SCHEMBL2200266 0.87 PDE4D (0.58) HPGDSSMN1; SMN2PDE4DADORA3KDM4E
SCHEMBL1969117 0.86 HPGDS (0.59) HPGDSSMN1; SMN2ADORA3KDM4EALDH1A1
SCHEMBL10984267 0.85 HSP90AA1 (0.62) HPGDSSMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL3263722 0.85 HPGDS (0.57) HPGDSSMN1; SMN2ADORA3KDM4EALDH1A1
SCHEMBL17279852 0.83 HPGDS (0.60) HPGDSSMN1; SMN2ADORA3KDM4EALDH1A1
SCHEMBL10924593 0.83 HPGDS (0.56) HPGDSSMN1; SMN2ADORA3KDM4EALDH1A1
SCHEMBL7460449 0.82 PDE4D (0.52) HPGDSSMN1; SMN2PDE4DADORA3KDM4E
SCHEMBL4382163 0.81 RAB9A (0.49) HPGDSKDM4EALDH1A1LMNARAB9A
SCHEMBL3847496 0.81 HPGDS (0.60) HPGDSSMN1; SMN2ADORA3KDM4EALDH1A1

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
EP-0019760-B1 ESTERS OF 3-ARYL-5-METHYL-PYRAZOLE-4-CARBOXYLIC ACID, HERBICIDES CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 EP claimed
EP-0019760-A1 Esters of 3-aryl-5-methyl-pyrazole-4-carboxylic acid, herbicides containing them, process for their preparation and their use BASF Aktiengesellschaft (DE) 1980-12-10 EP claimed