SCHEMBL31019693

SCHEMBL31019693

COc1ccc2c(c1)CCC2ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
DRD1 P21728 3/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD5 P21918 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.45
VDR P11473 1/20 0.45
CYP24A1 Q07973 2/20 0.44
CYP26A1 O43174 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP27A1 Q02318 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B1 P14061 1/20 0.41

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
SCHEMBL21290402 0.80 HRH3 (0.42) KDM4E
SCHEMBL4637260 0.72 FFAR1 (0.39) KMT2A
Hydrochloric Acid SCHEMBL31019674 0.71 IDO1 (0.56) SRD5A1DRD1DRD2DRD4DRD5
SCHEMBL6406234 0.71 DRD2 (0.51) DRD2DRD4DRD3CYP24A1CYP27A1
SCHEMBL3972863 0.71 CYP11B2 (0.48) DRD1DRD2DRD4DRD5DRD3
SCHEMBL6406230 0.71 DRD2 (0.51) DRD2DRD4DRD3CYP24A1CYP27A1
SCHEMBL31118985 0.69 RECQL (0.48) KMT2AMEN1VDRKDM4EMAPT
SCHEMBL10962784 0.69 DRD1 (0.62) DRD1KMT2ADRD2DRD4DRD5
SCHEMBL25321589 0.69 OPRM1 (0.47) DRD1KMT2ACA1CA2CA9
SCHEMBL25322071 0.68 NR1H3 (0.50) KMT2AMEN1VDRMAPTRECQL

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-2024162284-A1 PYRAZOLE-4-CARBOXAMIDE COMPOUND AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT USING SAME クミアイ化学工業株式会社 2024-08-08 WO disclosed