SCHEMBL11344205

SCHEMBL11344205

CC(=O)Nc1nn(C)c2c1sc1ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ THRB P10828 1/20 0.39
▸ KAT2B Q92831 1/20 0.38
▸ LIMK1 P53667 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 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
SCHEMBL11342580 0.84 THRB (0.39) TP53KMT2ATHRBKAT2BLIMK1
SCHEMBL11342323 0.84 THRB (0.37) TP53MEN1KMT2ATHRBADORA3
SCHEMBL11339514 0.84 KDM4E (0.44) TP53MEN1KMT2ATHRBKAT2B
SCHEMBL11334717 0.84 THRB (0.44) TP53KMT2ATHRBKAT2BLMNA
SCHEMBL11345577 0.83 THRB (0.39) TP53THRBKAT2BLIMK1SMN1; SMN2
SCHEMBL11347177 0.83 THRB (0.39) TP53THRBLIMK1SMN1; SMN2IKBKB
SCHEMBL11333160 0.82 STK17B (0.41) KAT2BSMN1; SMN2ADORA3ALDH1A1
SCHEMBL11149542 0.81 PARP14 (0.47) TP53MEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL14296844 0.78 AURKB (0.45) MEN1KMT2ALIMK1SMN1; SMN2RXFP1
SCHEMBL11331479 0.76 LIMK1 (0.51) TP53LIMK1IKBKBCHUKCLK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004319-B1 N-(PYRIDOTHIENOPYRAZOL) AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-05 — — EP disclosed
US-4220776-A TREATMENT OF RHINOVIRAL INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-02 — — US disclosed
EP-0004319-A1 N-(pyridothienopyrazol) amides, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-03 — — EP disclosed
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