SCHEMBL7196485

SCHEMBL7196485

COc1ccc(Cc2nc(C(N)=O)nc3sc4c(c23)CCN(C)C4)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.44
ADRA1D P25100 6/20 0.44
HTR1B P28222 6/20 0.44
ADRA1A P35348 6/20 0.44
ADRA1B P35368 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GPR52 Q9Y2T5 1/20 0.43
ALOX15 P16050 2/20 0.42
P2RX3 P56373 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL7198186 0.92 HTR1A (0.43) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7201893 0.89 MEN1 (0.44) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7198636 0.81 KDM4E (0.49) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7203216 0.79 KDM4E (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7199734 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7197966 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7203222 0.74 KDM4E (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7198955 0.73 KDM4E (0.50) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7198212 0.73 KDM4E (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7202148 0.70 KDM4E (0.49) HTR1AADRA1DHTR1BADRA1AADRA1B

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