SCHEMBL2550311

SCHEMBL2550311

O=C(c1ccsc1C1CCC1)c1ccsc1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPK10 P53779 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPRB P23467 1/20 0.33
PTPN6 P29350 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL14862766 0.96 MAPK10 (0.40) ABCC1ABCG2MAPK10HTTLMNA
SCHEMBL2555585 0.92 MAPK10 (0.38) ABCC1ABCG2MAPK10HTTLMNA
SCHEMBL29529348 0.81 ABCC1 (0.39) ABCC1ABCG2MAPK10HTTLMNA
SCHEMBL23413476 0.78 PTPN2 (0.46) ABCC1ABCG2MAPK10LMNAALDH1A1
SCHEMBL20521813 0.77 MAPT (0.52) MAPK10HTTLMNAALDH1A1MEN1
SCHEMBL2550314 0.71 CYP2A6 (0.36) LMNAMEN1KMT2ATDP1
SCHEMBL29529418 0.71 LMNA (0.36) MAPK10HTTLMNAALDH1A1MEN1
SCHEMBL17164879 0.70 MAPT (0.44) MAPK10HTTLMNAALDH1A1MEN1
SCHEMBL4206522 0.70 MEN1 (0.44) MAPK10HTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL31247929 0.70 PTPN2 (0.39) ABCC1ABCG2ALDH1A1MEN1KMT2A

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed