SCHEMBL2030646

SCHEMBL2030646

CN1C(=O)C(Cc2c[nH]c3ccccc23)(N2C(=S)N(C)C(=O)C2Cc2c[nH]c3ccccc23)NC1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
IDO1 P14902 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
RIPK1 Q13546 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.40
CCKBR P32239 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTR6 P50406 4/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL838039 0.78 MAPT (0.62) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL836471 0.77 MAPT (0.52) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL856922 0.71 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL29351522 0.71 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL2030647 0.71 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
Necrostatin SCHEMBL14473477 0.71 RIPK1 (1.00) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL19197992 0.68 MAPT (0.50) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL21133080 0.66 MAPT (0.61) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL25368489 0.66 MAPT (0.52) MAPTIDO1SMN1; SMN2TP53GLA
SCHEMBL25368484 0.66 MAPT (0.52) MAPTIDO1SMN1; SMN2TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110159017-A1 TRYTOPHAN CATABOLISM IN CANCER TREATMENT AND DIAGNOSIS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2011-06-30 US claimed
WO-2010008427-A1 TRYPTOPHAN CATABOLISM IN CANCER TREATMENT AND DIAGNOSIS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2010-01-21 WO claimed
WO-2015187689-A1 METHODS AND COMPOSITIONS TO STABILIZE DIFFERENT STEM CELL STATES UNIVERSITY OF WASHINGTON - CENTER FOR COMMERCIALIZATION (US) 2015-12-10 WO disclosed
US-20120277111-A1 MicroRNA Mediated Neuronal Cell Induction THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2012-11-01 US disclosed
US-20110159017-A1 TRYTOPHAN CATABOLISM IN CANCER TREATMENT AND DIAGNOSIS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2011-06-30 US disclosed
WO-2010008427-A1 TRYPTOPHAN CATABOLISM IN CANCER TREATMENT AND DIAGNOSIS LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2010-01-21 WO disclosed