SCHEMBL9846261

SCHEMBL9846261

N#Cc1ccc(CC2CC2)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DAO P14920 5/20 0.41
MBOAT4 Q96T53 1/20 0.38
XDH P47989 1/20 0.38
MCL1 Q07820 1/20 0.37
DPYD Q12882 1/20 0.37
UPP1 Q16831 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11832453 0.94 CRHBP (0.47) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL11833923 0.92 CRHBP (0.46) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL11839255 0.79 CRHBP (0.43) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL5117155 0.75 CRHBP (0.54) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL8885481 0.72 CRHBP (0.51) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL9341183 0.71 CRHBP (0.50) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL7378101 0.71 CRHBP (0.50) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL10750342 0.71 CRHBP (0.50) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL17844413 0.70 KDM4E (0.47) CRHBPCRHR2KDM4EALDH1A1HPGD
SCHEMBL1258908 0.70 CRHBP (0.49) CRHBPCRHR2KDM4EALDH1A1HPGD

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed