SCHEMBL8473624

SCHEMBL8473624

[CH2]C(N)C(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ EPHX1 P07099 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL3258317 0.79 POLB (0.39) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL24543407 0.77 DPP4 (0.43) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL4532611 0.77 POLB (0.43) POLBEPHX1MEN1KMT2AALDH1A1
SCHEMBL12234218 0.77 DPP4 (0.43) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL13164141 0.77 DPP4 (0.43) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL9962281 0.75 DPP4 (0.48) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL4956469 0.75 DPP4 (0.48) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL24543151 0.73 MAPT (0.39) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL24543155 0.73 POLB (0.35) POLBEPHX1MEN1KMT2ADPP4
SCHEMBL23975825 0.73 DPP4 (0.47) POLBEPHX1MEN1KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5902819-A Triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1999-05-11 — — US disclosed
EP-0741722-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-11-13 — — EP disclosed
EP-0651749-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-10 — — EP disclosed
EP-0637307-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-02-08 — — EP disclosed
EP-0630374-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-12-28 — — EP disclosed
WO-1993020066-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1993-10-14 — — WO disclosed
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