SCHEMBL11735306

SCHEMBL11735306

O=C(Nc1nnn[nH]1)c1cnc2sc3cc(F)c(C(F)(F)F)cc3n2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KCNQ3 O43525 2/20 0.32
▸ KCNQ2 O43526 2/20 0.32
▸ KCNE1 P15382 2/20 0.32
▸ KCNQ1 P51787 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ GRIK1 P39086 1/20 0.30
▸ GRIA1 P42261 1/20 0.30

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
SCHEMBL11741875 0.91 MAPT (0.42) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11735989 0.88 SMN1; SMN2 (0.37) MAPTTHRBKDM4ESMN1; SMN2HSD17B10
SCHEMBL11740365 0.87 MAPT (0.42) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11738569 0.87 MAPT (0.40) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11735715 0.85 MAPT (0.40) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11735667 0.84 SMN1; SMN2 (0.43) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11737536 0.84 MAPT (0.38) MAPTKDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL11729614 0.83 KDM4E (0.48) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11736358 0.83 KDM4E (0.41) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1
SCHEMBL11739244 0.83 MAPT (0.40) MAPTKDM4ESMN1; SMN2HSD17B10NPSR1

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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