SCHEMBL8928631

SCHEMBL8928631

CN(C(=O)c1cc2ccccc2n1CC(=O)O)c1nnc2n1-c1sccc1C(c1ccccc1)=NC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCKAR P32238 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
GABRA1 P14867 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
GABRA3 P34903 1/20 0.33
PTAFR P25105 1/20 0.33
RECQL P46063 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
SCHEMBL8928668 0.88 PTAFR (0.38) MEN1KMT2ACCKARL3MBTL1OPRK1
SCHEMBL8928732 0.87 OPRK1 (0.44) MEN1KMT2ACCKARL3MBTL1OPRK1
SCHEMBL8928869 0.84 L3MBTL1 (0.36) MEN1KMT2ACCKARL3MBTL1ALDH1A1
SCHEMBL8928667 0.82 OPRK1 (0.44) MEN1KMT2ACCKAROPRK1GABRA1
SCHEMBL8928637 0.82 MEN1 (0.42) MEN1KMT2ACCKARL3MBTL1OPRK1
SCHEMBL8928440 0.79 OPRK1 (0.55) MEN1KMT2ACCKAROPRK1PTAFR
SCHEMBL8928710 0.75 RECQL (0.38) MEN1KMT2ACCKAROPRK1ALDH1A1
SCHEMBL8928940 0.73 KDM4E (0.36) OPRK1ALDH1A1CYP1A2GABRA1GABRA5
SCHEMBL8689007 0.73 MEN1 (0.42) MEN1KMT2ACCKARL3MBTL1ALDH1A1
SCHEMBL8928678 0.71 MEN1 (0.39) MEN1KMT2ACCKARL3MBTL1OPRK1

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