SCHEMBL6830722

SCHEMBL6830722

N=C(N)N(C(=O)N=S)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.42
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
MTNR1A P48039 1/20 0.34

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
SCHEMBL3064753 0.87 CYP1A2 (0.31) ALOX5F2
SCHEMBL3068495 0.82 SIGMAR1 (0.49) SIGMAR1GAAKDM4EALDH1A1ALOX5
SCHEMBL6831348 0.81 SIGMAR1 (0.47) SIGMAR1GAAKDM4EALDH1A1NR4A1
SCHEMBL6685262 0.77 SIGMAR1 (0.48) SIGMAR1GAAKDM4EALDH1A1ALOX5
SCHEMBL11131086 0.76 SIGMAR1 (0.46) SIGMAR1GAAKDM4EALDH1A1MTNR1A
SCHEMBL3078087 0.74 KDM4E (0.59) SIGMAR1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11077306 0.72 SIGMAR1 (0.43) SIGMAR1GAAKDM4EALDH1A1F2
SCHEMBL6685254 0.72 SIGMAR1 (0.44) SIGMAR1GAAKDM4EALDH1A1ALOX5
SCHEMBL29234421 0.72 GAA (0.58) SIGMAR1GAAKDM4EALDH1A1ALOX5
SCHEMBL16487448 0.71 SIGMAR1 (0.50) SIGMAR1GAAKDM4EALDH1A1NR4A1

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