SCHEMBL11729614

SCHEMBL11729614

O=C(Nc1nnn[nH]1)c1cnc2sc3cc(F)ccc3n2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSD17B10 Q99714 8/20 0.36
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ GLA P06280 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
SCHEMBL11736358 0.92 KDM4E (0.41) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11735893 0.88 SMN1; SMN2 (0.50) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11741875 0.88 MAPT (0.42) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11740365 0.87 MAPT (0.42) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL10993418 0.86 MAPT (0.41) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11734865 0.86 TP53 (0.55) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11733179 0.86 TP53 (0.60) KDM4EMAPTTP53SMN1; SMN2LMNA
SCHEMBL11730118 0.86 TP53 (0.43) KDM4EMAPTTP53SMN1; SMN2RXFP1
SCHEMBL11360111 0.85 KDM4E (0.37) KDM4EMAPTSMN1; SMN2LMNARXFP1
SCHEMBL11735715 0.85 MAPT (0.40) KDM4EMAPTTP53SMN1; SMN2LMNA

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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