SCHEMBL8928511

SCHEMBL8928511

COc1cccc(NC(=O)NCc2nnc3n2-c2sc(C)cc2C(c2ccccc2)=NC3)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
CASR P41180 1/20 0.42
AKT1 P31749 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DGAT2 Q96PD7 1/20 0.42
MAPT P10636 3/20 0.41
CCKBR P32239 6/20 0.41
CCR3 P51677 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL8928437 0.91 HPGD (0.41) RAB9AAKT1SMN1; SMN2MAPTCCKBR
SCHEMBL8928656 0.91 OPRK1 (0.44) PKMMAPK1RAB9ACASRAKT1
SCHEMBL8928513 0.89 PKM (0.42) PKMMAPK1RAB9ACASRAKT1
SCHEMBL8928389 0.88 PKM (0.41) PKMMAPK1RAB9ACASRAKT1
SCHEMBL8928635 0.83 PTAFR (0.44) PKMMAPK1RAB9ACASRSMN1; SMN2
SCHEMBL8928565 0.83 HPGD (0.45) MAPK1SMN1; SMN2KMT2AHPGDRECQL
SCHEMBL8928465 0.83 OPRK1 (0.47) RAB9AAKT1SMN1; SMN2MAPTCCKBR
SCHEMBL8928545 0.82 OPRK1 (0.47) MAPT
SCHEMBL8928504 0.82 OPRK1 (0.56) PKMMAPK1RAB9AKMT2A
SCHEMBL8928854 0.81 OPRK1 (0.44) SMN1; SMN2MAPT

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
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed