SCHEMBL7000413

SCHEMBL7000413

CCOC(=O)c1c(N)sc2c1CCN(CCc1ccc(Cl)cc1)C2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.82
POLB P06746 1/20 0.82
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
MAPT P10636 6/20 0.69
ADORA1 P30542 5/20 0.69
LMNA P02545 1/20 0.69
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HPGD P15428 3/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
PTPN2 P17706 1/20 0.46

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
SCHEMBL6997167 0.94 GAA (0.73) GAAPOLBMEN1KMT2AMAPT
SCHEMBL7719502 0.91 ADORA1 (0.83) GAAPOLBMEN1KMT2AMAPT
SCHEMBL6993678 0.90 GAA (0.82) GAAPOLBMEN1KMT2AMAPT
SCHEMBL6993515 0.90 GAA (1.00) GAAPOLBMEN1KMT2AMAPT
SCHEMBL7719431 0.84 GAA (0.89) GAAPOLBMEN1KMT2AMAPT
SCHEMBL6993570 0.84 ADORA1 (0.84) GAAPOLBMEN1KMT2AMAPT
SCHEMBL7089989 0.83 GAA (0.87) GAAPOLBMEN1KMT2AMAPT
SCHEMBL6992518 0.82 ADORA1 (0.81) GAAPOLBMEN1KMT2AMAPT
Tinoridine SCHEMBL24761 0.82 ADORA1 (1.00) GAAPOLBMEN1KMT2AMAPT
Tinoridine SCHEMBL217049 0.81 ADORA1 (0.98) GAAPOLBMEN1KMT2AMAPT

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-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US disclosed