SCHEMBL6831332

SCHEMBL6831332

N=C(N)C(Cc1ccccc1)C(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
MDM2 Q00987 1/20 0.50
IDO1 P14902 3/20 0.48
NOS1 P29475 2/20 0.48
NOS3 P29474 1/20 0.48
NOS2 P35228 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL6687587 0.90 ALPI (0.57) EPHX1MDM2ALPIPKMPTGS1
SCHEMBL6685192 0.82 CYP1A2 (0.56) EPHX1IDO1NOS1NOS3NOS2
SCHEMBL10425025 0.80 ALPI (0.61) EPHX1IDO1NOS1NOS3NOS2
SCHEMBL3110720 0.80 EPHX1 (0.48) EPHX1IDO1NOS1NOS3NOS2
SCHEMBL3917090 0.78 EPHX1 (0.44) EPHX1IDO1NOS1NOS3NOS2
SCHEMBL6827570 0.77 EPHX1 (0.50) EPHX1MDM2ALPIPKMPTGS1
SCHEMBL2109313 0.77 EPHX1 (0.68) EPHX1MDM2ALPIPKMPTGS1
SCHEMBL6562353 0.76 ALPI (0.61) EPHX1MDM2ALPIPKMPTGS1
SCHEMBL7469503 0.74 EPHX1 (0.42) EPHX1IDO1NOS1NOS3NOS2
SCHEMBL21896194 0.74 TAAR1 (0.50) EPHX1IDO1NOS1NOS3NOS2

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 3 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-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