SCHEMBL8777902

SCHEMBL8777902

CCCCCCCNC(=O)Nc1cnccc1N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ EPHX1 P07099 12/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ NAAA Q02083 1/20 0.51
▸ CDK2 P24941 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9426614 0.78 LMNA (0.62) HTTALDH1A1SMN1; SMN2
SCHEMBL4026832 0.78 ALDH1A1 (0.67) EPHX1HTTALDH1A1
SCHEMBL4024825 0.78 ALDH1A1 (0.67) EPHX1HTTALDH1A1
SCHEMBL4023576 0.76 ALDH1A1 (0.69) EPHX1HTTALDH1A1
SCHEMBL6442708 0.75 EPHX1 (0.73) EPHX2EPHX1HTTALDH1A1NAAA
SCHEMBL8777922 0.74 EPHX2 (0.66) EPHX2EPHX1HTTALDH1A1HDAC1
SCHEMBL8777838 0.74 EPHX1 (0.55) EPHX2EPHX1HTTALDH1A1CDK2
SCHEMBL8777984 0.73 EPHX2 (0.55) EPHX2EPHX1HTTALDH1A1
SCHEMBL18274878 0.72 SMN1; SMN2 (0.59) EPHX2EPHX1HTTALDH1A1CDK2
SCHEMBL9426618 0.72 HTT (0.51) HTTALDH1A1KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 — — EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 — — EP disclosed
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