SCHEMBL6660438

SCHEMBL6660438

N=P(N)(S)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.40
CALM1 P0DP23 1/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.37
ANPEP P15144 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 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
SCHEMBL6683645 0.80 HPGD (0.46) IDO1LOXL2HPGDMAOBCALM1
SCHEMBL6831567 0.79 IDO1 (0.46) IDO1LOXL2HPGDMAOBCALM1
Water SCHEMBL7529143 0.79 LOXL2 (0.46) IDO1LOXL2HPGDMAOBCALM1
SCHEMBL6831497 0.75 HPGD (0.46) IDO1HPGDMAOBCALM1TDP1
SCHEMBL6827575 0.72 HPGD (0.48) IDO1HPGDMAOBCALM1TDP1
SCHEMBL7079107 0.72 LOXL2 (0.43) IDO1LOXL2HPGDMAOBCALM1
SCHEMBL10424306 0.72 HPGD (0.54) LOXL2HPGDCALM1CYP2A6HTR2A
SCHEMBL6660433 0.72 IDO1 (0.45) IDO1HPGDTDP1
SCHEMBL7078417 0.69 CA2 (0.36) TDP1
SCHEMBL6681698 0.69 IDO1 (0.46) IDO1LOXL2HPGDMAOBCALM1

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 5 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-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 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