SCHEMBL11735261

SCHEMBL11735261

Cc1ccc2sc3ncc(C(=O)O)c(=O)n3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ PARP10 Q53GL7 3/20 0.42
▸ PARP15 Q460N3 2/20 0.42
▸ TNKS2 Q9H2K2 2/20 0.42
▸ PARP2 Q9UGN5 2/20 0.42
▸ TP53 P04637 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL11733455 0.84 KDM4E (0.43) KDM4EALDH1A1GAAPKMTP53
SCHEMBL11738548 0.84 TP53 (0.54) KDM4EALDH1A1PARP10PARP15TNKS2
SCHEMBL11734087 0.81 KDM4E (0.54) KDM4EALDH1A1TP53CHEK1LIMK1
SCHEMBL11729010 0.77 KDM4E (0.43) KDM4EALDH1A1GAAPARP10TP53
SCHEMBL11471352 0.74 KDM4E (0.55) KDM4EALDH1A1GAAPKMPARP10
SCHEMBL18747058 0.71 PARP10 (0.51) KDM4EALDH1A1PARP10PARP15TNKS2
SCHEMBL11359826 0.70 PARP10 (0.47) KDM4EALDH1A1GAAPKMPARP10
SCHEMBL11470557 0.69 TP53 (0.37) KDM4EALDH1A1GAAPKMTP53
SCHEMBL28427333 0.68 IDO1 (0.62) KDM4EALDH1A1GAAPKMSMN1; SMN2
SCHEMBL11471959 0.68 KDM4E (0.60) KDM4EALDH1A1GAAPKMTP53

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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