SCHEMBL9048043

SCHEMBL9048043

O=C1c2ccccc2C(=O)N1Cc1nc2c(s1)=CC1=CC=CCC=21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 5/20 0.34
RXFP1 Q9HBX9 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTK2B Q14289 1/20 0.32
POLB P06746 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
SCHEMBL9045593 0.89 PKM (0.42) MAPTMEN1KMT2APKMALDH1A1
SCHEMBL9047441 0.87 PKM (0.38) MAPTMAPK1PKMALDH1A1TSHR
SCHEMBL9045426 0.86 TDP1 (0.39) MEN1KMT2AMAPK1PKMALDH1A1
SCHEMBL9049084 0.86 TDP1 (0.41) MEN1KMT2APKMALDH1A1TSHR
SCHEMBL9048189 0.69
SCHEMBL9047746 0.69 L3MBTL1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9047973 0.69 MEN1 (0.32) MEN1KMT2A
Fumaric Acid SCHEMBL9096120 0.69 TBXAS1 (0.39) MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9050368 0.68 DRD2 (0.39) ALDH1A1
SCHEMBL9047634 0.68 DRD3 (0.35)

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-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed