SCHEMBL8539809

SCHEMBL8539809

CCOC(=O)CCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.46
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 1/20 0.42
ALOX5 P09917 1/20 0.40
CDYL Q9Y232 1/20 0.39

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
SCHEMBL1979769 0.81 CSNK1A1 (0.52) ALDH1A1CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL18455674 0.79 CYP4F2 (0.71) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL8538155 0.79 PDK2 (0.44) CYP4F2CYP4A11CSNK1A1TYRO3DYRK1B
SCHEMBL17304239 0.78 CSNK1A1 (0.53) ALDH1A1CSNK1A1TYRO3DYRK1BKDM4E
SCHEMBL18458202 0.77 CYP4F2 (0.67) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL9667034 0.76 CSNK1A1 (0.61) ALDH1A1MAPTCSNK1A1TYRO3DYRK1B
SCHEMBL69660 0.76 CYP4F2 (0.86) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL8537268 0.76 SYK (0.51) CYP4F2CYP4A11ALDH1A1MAPTLMNA
SCHEMBL6282888 0.76 CYP4F2 (0.69) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL8538742 0.76 CYP1A2 (0.48) CSNK1A1TYRO3DYRK1BCYP1A2CYP3A4

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-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed