SCHEMBL4056200

SCHEMBL4056200

CC(=O)c1ccc(N=C2SCC(=O)N2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GFER P55789 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40

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
SCHEMBL4056197 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2595128 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2595132 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL14876942 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2587984 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2587982 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2586777 0.80 KMT2A (0.53) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL4056949 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL4056952 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL2586772 0.80 KMT2A (0.53) MEN1KMT2AALDH1A1GAATSHR

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
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO disclosed
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