SCHEMBL6688652

SCHEMBL6688652

N=P(S)(S)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 2/20 0.44
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA2 P00918 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
KEAP1 Q14145 1/20 0.43

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
SCHEMBL6661814 0.80 CA12 (0.51) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL7915675 0.75 ALDH1A1 (0.60) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL343177 0.72 CA12 (0.61) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL2200054 0.72 ALDH1A1 (0.56) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL733945 0.72 ALDH1A1 (0.56) KDM4EHPGDLMNAHSD17B10ALDH1A1
SCHEMBL49213 0.71 HSD17B10 (0.74) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8500339 0.69 HSD17B10 (0.71) KDM4EHPGDHSD17B10ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL11586421 0.69 HSD17B10 (0.71) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL1921580 0.69 HSD17B10 (0.71) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL21647257 0.68 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1TSHR

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-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO 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