SCHEMBL6661245

SCHEMBL6661245

N=C(N)C(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTT P42858 2/20 0.41
ALOX5 P09917 1/20 0.41
ACP3 P15309 1/20 0.40

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
SCHEMBL7079467 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL3630054 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL328867 0.75 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL19514728 0.75 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL9950211 0.75 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL30861790 0.75 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL9950214 0.75 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL5141202 0.74 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1665813 0.73 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL24017144 0.73 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551330-A4 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF OREGON STATE (US) 1994-07-06 EP claimed
EP-0551330-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1993-07-21 EP claimed
WO-1992004054-A1 SUBSTITUTED AMIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITY, PORTLAND, OREGON, and THE UNIVERSITY OF OREGON, EUGENE, OREGON, Johnson Hall, University of Oregon (US) 1992-03-19 WO claimed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed