SCHEMBL11737589

SCHEMBL11737589

O=C(O)c1cnc2sc3ccc(Cl)cc3n2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ KDM4E B2RXH2 4/20 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
▸ TP53 P04637 4/20 0.38
▸ KMO O15229 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPC1 O15118 3/20 0.36

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) SMN1; SMN2KDM4ECHEK1LIMK1DYRK1A
SCHEMBL11733455 0.84 KDM4E (0.43) SMN1; SMN2KDM4ECHEK1LIMK1DYRK1A
SCHEMBL11738548 0.81 TP53 (0.54) SMN1; SMN2KDM4ETP53ALDH1A1TSHR
SCHEMBL11734087 0.81 KDM4E (0.54) SMN1; SMN2KDM4ECHEK1LIMK1DYRK1A
SCHEMBL11734966 0.77 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ETP53ALDH1A1TSHR
SCHEMBL24513313 0.71 KDM4E (0.71) SMN1; SMN2KDM4ETP53ALDH1A1GAA
SCHEMBL11347014 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ETP53KMOALDH1A1
SCHEMBL24513330 0.68 NPC1 (0.49) SMN1; SMN2KDM4ETP53KMT2AMAPT
SCHEMBL11735893 0.68 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ETP53ALDH1A1TSHR
SCHEMBL23076418 0.66 RAB9A (0.47) SMN1; SMN2KDM4ETP53ALDH1A1KMT2A

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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