SCHEMBL8928637

SCHEMBL8928637

O=C(O)Cn1c(C(=O)NCc2nnc3n2-c2sccc2C(c2ccccc2)=NC3)cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CCKAR P32238 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 3/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 6/20 0.35
NTRK3 Q16288 2/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRK1 P41145 1/20 0.34
F10 P00742 3/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL8928710 0.91 RECQL (0.38) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928678 0.88 MEN1 (0.39) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928748 0.86 OPRK1 (0.42) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928876 0.84 MEN1 (0.37) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928672 0.82 OPRK1 (0.43) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928631 0.82 MEN1 (0.39) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928561 0.80 RECQL (0.38) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928781 0.80 MIF (0.46) CCKARHPGDRECQLSMN1; SMN2KDM4E
SCHEMBL8928766 0.79 OPRK1 (0.42) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928442 0.79 OPRK1 (0.54) MEN1CCKARKMT2AOPRK1

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