SCHEMBL11735667

SCHEMBL11735667

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ POLQ O75417 1/20 0.33
▸ NCS1 P62166 1/20 0.33
▸ SCN8A Q9UQD0 2/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 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
SCHEMBL11736358 0.88 KDM4E (0.41) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11733170 0.87 TP53 (0.37) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11349854 0.86 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11729010 0.86 KDM4E (0.43) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11734966 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11740117 0.86 TP53 (0.39) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11735306 0.84 MAPT (0.39) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11736073 0.84 ALDH1A1 (0.38) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL11741875 0.84 MAPT (0.42) SMN1; SMN2HSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL10993418 0.83 MAPT (0.41) SMN1; SMN2HSD17B10KDM4EALDH1A1MAPT

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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