SCHEMBL11734083

SCHEMBL11734083

CC(C)c1ccc2sc3ncc(C(=O)Nc4nnn[nH]4)c(=O)n3c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 9/20 0.37
▸ HSD17B10 Q99714 11/20 0.34
▸ HPGD P15428 8/20 0.34
▸ KDM4E B2RXH2 7/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ GAA P10253 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 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
SCHEMBL11730118 0.93 TP53 (0.43) RXFP1DCTPP1MAPTTP53THRB
SCHEMBL11729010 0.88 KDM4E (0.43) DCTPP1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11737355 0.87 TP53 (0.42) RXFP1DCTPP1MAPTTP53SMN1; SMN2
SCHEMBL11735620 0.87 TP53 (0.38) RXFP1DCTPP1MAPTTP53THRB
SCHEMBL11733170 0.87 TP53 (0.37) RXFP1DCTPP1MAPTTP53THRB
SCHEMBL11736073 0.86 ALDH1A1 (0.38) DCTPP1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11736358 0.86 KDM4E (0.41) RXFP1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11734966 0.86 SMN1; SMN2 (0.44) RXFP1DCTPP1MAPTTP53SMN1; SMN2
SCHEMBL11740117 0.86 TP53 (0.39) DCTPP1MAPTTP53SMN1; SMN2HSD17B10
SCHEMBL11733914 0.85 TP53 (0.49) RXFP1MAPTTP53THRBSMN1; SMN2

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
Send feedback