SCHEMBL7074740

SCHEMBL7074740

S=C(S)N(C1CCCCC1)C1CCCCC1.S=C(S)N(Cc1ccccc1)Cc1ccccc1.S=C(S)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
AGER Q15109 3/20 0.38
MTNR1A P48039 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MGLL Q99685 2/20 0.35

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
SCHEMBL7078631 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL3082138 0.73 SIGMAR1 (0.48) ALDH1A1KMT2AL3MBTL1KDM4ECYP1A2
SCHEMBL7078629 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL27992533 0.71 SIGMAR1 (0.47) ALDH1A1KMT2AL3MBTL1KDM4ECYP1A2
SCHEMBL27992308 0.71 SIGMAR1 (0.47) ALDH1A1KMT2AL3MBTL1KDM4ECYP1A2
SCHEMBL319904 0.68 MGLL (0.61) ALDH1A1NPSR1GAALMNAMGLL
SCHEMBL13007114 0.68 SIGMAR1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL29057842 0.67 MGLL (0.59) ALDH1A1NPSR1GAALMNAMGLL
SCHEMBL22638105 0.67 MGLL (0.59) ALDH1A1NPSR1GAALMNAMGLL
SCHEMBL7875605 0.67 MGLL (0.59) ALDH1A1NPSR1GAALMNAMGLL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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