SCHEMBL11733170

SCHEMBL11733170

O=C(Nc1nnn[nH]1)c1cnc2sc3ccc(O)cc3n2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 9/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 10/20 0.34
▸ HPGD P15428 7/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 6/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL11740117 0.89 TP53 (0.39) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11734966 0.89 SMN1; SMN2 (0.44) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11729010 0.89 KDM4E (0.43) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11736358 0.89 KDM4E (0.41) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11736073 0.87 ALDH1A1 (0.38) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL10993418 0.87 MAPT (0.41) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11735667 0.87 SMN1; SMN2 (0.43) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11734083 0.87 RXFP1 (0.41) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11733914 0.87 TP53 (0.49) TP53SMN1; SMN2MAPTHSD17B10HPGD
SCHEMBL11732938 0.87 TP53 (0.51) TP53SMN1; SMN2MAPTHSD17B10HPGD

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
US-4041163-A N-(5-Tetrazolyl)-4-oxo-4H-pyrimido(2,1-b)benzothiazole-3-carboxamide antiallergy agents PFIZER INC. (US) 1977-08-09 — — US disclosed
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