SCHEMBL8928678

SCHEMBL8928678

Cc1cc2c(s1)-n1c(nnc1CNC(=O)c1cc3ccccc3n1CC(=O)O)CN=C2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CCKAR P32238 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.39
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTAFR P25105 9/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 2/20 0.35
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 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
SCHEMBL8928561 0.92 RECQL (0.38) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928748 0.91 OPRK1 (0.42) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928637 0.88 MEN1 (0.42) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928876 0.87 MEN1 (0.37) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928672 0.86 OPRK1 (0.43) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928766 0.85 OPRK1 (0.42) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928442 0.83 OPRK1 (0.54) MEN1CCKARKMT2APTAFROPRK1
SCHEMBL8928668 0.83 PTAFR (0.38) MEN1CCKARKMT2AHPGDPTAFR
SCHEMBL8928710 0.82 RECQL (0.38) MEN1CCKARKMT2AHPGDRECQL
SCHEMBL8928679 0.81 MIF (0.45) CCKARHPGDRECQLSMN1; SMN2OPRK1

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