SCHEMBL8558368

SCHEMBL8558368

CNC(=O)C1=C(C)OC(C)=C(C(=O)NC)C1c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ABCC1 P33527 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL8562368 0.81 HPGD (0.46) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL8040446 0.81 KDM4E (0.46) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL8562068 0.81 HPGD (0.66) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL8561209 0.74 ABCC1 (0.63) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL8034242 0.71 HPGD (0.47) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
1,4-Dichlorobenzene SCHEMBL27298287 0.68 ALDH1A1 (0.58) KDM4ESMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8036270 0.67 FAAH (0.45) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL79445 0.67 HDAC2 (0.64) KDM4EHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL8563432 0.65 ABCC1 (0.46) KDM4EHPGDNPSR1ABCC1SMN1; SMN2
SCHEMBL9312804 0.65 ABCC1 (0.65) KDM4EHPGDNPSR1ABCC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760073-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed