SCHEMBL6827907

SCHEMBL6827907

CC(=S)C=C(C)NC1CCCCC1.CC(=S)C=C(C)Nc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RAB9A P51151 1/20 0.65
EPHX1 P07099 1/20 0.58
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 4/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3068474 0.84 KMT2A (0.71) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL3068471 0.84 KMT2A (0.71) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL6827908 0.82 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6827901 0.82 ALDH1A1 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3071855 0.76 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL3071856 0.76 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2RAB9AEPHX1
SCHEMBL10089305 0.74 EPHX1 (1.00) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6827902 0.73 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2751717 0.72 EPHX1 (0.97) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7149230 0.72 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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