SCHEMBL7078631

SCHEMBL7078631

OC(=S)N(C1CCCCC1)C1CCCCC1.OC(=S)N(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PHGDH O43175 1/20 0.37
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3069182 0.82 SIGMAR1 (0.53) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL7078629 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL7074740 0.75 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL27382904 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL20339399 0.71 SIGMAR1 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL3072501 0.71 PHGDH (0.58) ALDH1A1KMT2AMEN1KDM4EPHGDH
SCHEMBL9001875 0.69 SIGMAR1 (0.49) KMT2AMEN1SMN1; SMN2KDM4ERAB9A
SCHEMBL16628462 0.69 HPRT1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL30577229 0.69 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL16223155 0.69 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2CYP1A2

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