SCHEMBL8928668

SCHEMBL8928668

Cc1cc2c(s1)-n1c(nnc1N(C)C(=O)c1cc3ccccc3n1CC(=O)O)CN=C2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 11/20 0.38
MEN1 O00255 1/20 0.37
CCKAR P32238 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
GABRA3 P34903 1/20 0.35
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 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
SCHEMBL8928732 0.91 OPRK1 (0.44) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8928631 0.88 MEN1 (0.39) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8928869 0.87 L3MBTL1 (0.36) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8928667 0.86 OPRK1 (0.44) PTAFRMEN1CCKARKMT2AOPRK1
SCHEMBL8928678 0.83 MEN1 (0.39) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8928440 0.83 OPRK1 (0.55) PTAFRMEN1CCKARKMT2AOPRK1
SCHEMBL8928561 0.76 RECQL (0.38) PTAFRMEN1CCKARKMT2AOPRK1
SCHEMBL8928748 0.74 OPRK1 (0.42) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8689308 0.73 MEN1 (0.40) PTAFRMEN1CCKARKMT2AL3MBTL1
SCHEMBL8928544 0.71 OPRK1 (0.52) PTAFRMEN1KMT2AOPRK1PDE4D

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