SCHEMBL14205652

SCHEMBL14205652

O=C(Nc1ccc(Cc2ccnc3ccsc23)cc1)NC1CC1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.69
CNR1 P21554 1/20 0.51
KDR P35968 3/20 0.46
EPHX2 P34913 2/20 0.44
KDM1A O60341 2/20 0.41
PTGIR P43119 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAOB P27338 1/20 0.39
SCN3A Q9NY46 2/20 0.39
PAK4 O96013 2/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL12376538 0.81 MET (1.00) METCNR1KDREPHX2SCN3A
SCHEMBL12376534 0.76 MET (1.00) METCNR1KDREPHX2
SCHEMBL24134180 0.72 PDE4A (0.47) METKDR
SCHEMBL6568477 0.72 CNR1 (0.68) METCNR1EPHX2KDM1ACA1
SCHEMBL22834265 0.69 CNR1 (1.00) METCNR1EPHX2KDM1AMAOB
SCHEMBL22834156 0.69 CNR1 (1.00) METCNR1EPHX2KDM1AMAOB
SCHEMBL22834153 0.69 CNR1 (1.00) METCNR1EPHX2KDM1AMAOB
SCHEMBL1492971 0.68 MAPK1 (0.61) METCNR1EPHX2IDH1
SCHEMBL12410273 0.64 MET (0.65) METCNR1KDREPHX2IDH1
SCHEMBL8350625 0.63 SMN1; SMN2 (0.70) CNR1EPHX2KDM1ACA1CA2

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-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed