SCHEMBL11733455

SCHEMBL11733455

O=C(O)c1cnc2sc3ccc(F)cc3n2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ MAPT P10636 1/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DCTPP1 Q9H773 1/20 0.34
▸ BCKDK O14874 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL11735261 0.84 KDM4E (0.48) KDM4EMAPTDYRK1ACHEK1LIMK1
SCHEMBL11738548 0.81 TP53 (0.54) KDM4EMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL11734087 0.81 KDM4E (0.54) KDM4EMAPTDYRK1ACHEK1LIMK1
SCHEMBL11736358 0.77 KDM4E (0.41) KDM4EMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL7330993 0.66 KDM4E (0.43) KDM4EMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL11475697 0.65 ALDH1A1 (0.39) KDM4EDYRK1ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11470557 0.64 TP53 (0.37) KDM4EMAPTDYRK1ACHEK1LIMK1
SCHEMBL11471959 0.63 KDM4E (0.60) KDM4EMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL20928987 0.63 HDAC3 (0.38) KDM4EALDH1A1GAAKEAP1LMNA
SCHEMBL7332471 0.63 KDM4E (0.43) KDM4EMAPTTP53SMN1; SMN2ALDH1A1

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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