SCHEMBL6683596

SCHEMBL6683596

N=P(N)(Nc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
HSD17B10 Q99714 3/20 0.40
PTGS2 P35354 2/20 0.40
ALOX12 P18054 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2B P41595 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
IDO1 P14902 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 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
SCHEMBL5169942 0.74 KDM4E (0.47) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL8020135 0.73 ALDH1A1 (0.40) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL6138691 0.72 ALDH1A1 (0.45) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL6832596 0.69 CA2 (0.39) ALDH1A1TDP1ALOX12L3MBTL1TSHR
SCHEMBL6139066 0.69 CA2 (0.39) ALDH1A1TDP1ALOX12L3MBTL1TSHR
SCHEMBL7076211 0.69 IDO1 (0.43) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL239971 0.69 KDM4E (0.50) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL8016489 0.69 NPSR1 (0.44) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL28253909 0.69 KDM4E (0.50) ALDH1A1TDP1HSD17B10PTGS2ALOX12
SCHEMBL6682347 0.69 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10PTGS2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED 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