SCHEMBL7203216

SCHEMBL7203216

COc1ccc(CNc2nc(C(=O)O)nc3sc4c(c23)CCN(C)C4)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GLA P06280 3/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 1/20 0.51
PDE5A O76074 7/20 0.47
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BCDIN3D Q7Z5W3 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7198636 0.94 KDM4E (0.49) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7197966 0.91 KDM4E (0.47) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7203222 0.87 KDM4E (0.51) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7198186 0.87 HTR1A (0.43) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL7199734 0.87 KDM4E (0.47) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7198955 0.86 KDM4E (0.50) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7198212 0.86 KDM4E (0.51) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7202148 0.83 KDM4E (0.49) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7198158 0.81 KDM4E (0.46) KDM4EMAPTGAAALDH1A1GLA
SCHEMBL7195433 0.81 KDM4E (0.46) KDM4EMAPTGAAALDH1A1GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323719-A1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2003-07-02 EP disclosed
US-6482948-B1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2002-11-19 US disclosed
EP-1167367-A1 THIENOPYRIMIDINE COMPOUNDS AND SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME NIPPON SODA CO., LTD. (JP) 2002-01-02 EP disclosed