SCHEMBL6685262

SCHEMBL6685262

NC(=O)N(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ALOX5 P09917 1/20 0.43
MTNR1A P48039 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP9 P14780 1/20 0.40
MMP3 P08254 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6685254 0.91 SIGMAR1 (0.44) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL3068495 0.91 SIGMAR1 (0.49) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL27713672 0.86 SIGMAR1 (0.41) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL27532540 0.85 GAA (0.44) SIGMAR1GAAKDM4EALOX5ALDH1A1
SCHEMBL9547530 0.84 SIGMAR1 (0.51) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL3294924 0.82 SIGMAR1 (0.47) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL5320236 0.82 SIGMAR1 (0.47) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL6831348 0.82 SIGMAR1 (0.47) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL16487448 0.82 SIGMAR1 (0.50) SIGMAR1GAAKDM4ENR4A1NR4A2
SCHEMBL6832670 0.81 HSD17B10 (0.47) SIGMAR1GAAKDM4EALOX5ALDH1A1

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed