SCHEMBL6827619

SCHEMBL6827619

N#P(O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.44
AOC3 Q16853 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGLL Q99685 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 2/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.38
G6PC1 P35575 1/20 0.37

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
SCHEMBL1280222 0.81 ALDH1A1 (0.48) ALDH1A1TSHRAOC3NPSR1MGLL
SCHEMBL29983056 0.72 LMNA (0.47) ALDH1A1TSHRAOC3MGLLNPC1
SCHEMBL28525549 0.71 ALDH1A1 (0.48) ALDH1A1TSHRAOC3MGLLNPC1
SCHEMBL16596939 0.68 ALDH1A1 (0.44) ALDH1A1TSHRAOC3NPSR1MGLL
SCHEMBL39645 0.67 CYP1A2 (0.55) ALDH1A1TSHRAOC3MGLLNPC1
SCHEMBL640126 0.67 ALDH1A1 (0.55) ALDH1A1TSHRAOC3MGLLNPC1
SCHEMBL134524 0.66 TSHR (0.60) ALDH1A1TSHRAOC3MGLLCA2
SCHEMBL3271148 0.66 TSHR (0.60) ALDH1A1TSHRAOC3MGLLNPC1
Ammonia Solution, Strong SCHEMBL28967895 0.65 CYP1A2 (0.53) ALDH1A1TSHRAOC3MGLLNPC1
Hydrochloric Acid SCHEMBL1876474 0.65 CYP1A2 (0.53) ALDH1A1TSHRAOC3MGLLNPC1

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-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed