SCHEMBL7822527

SCHEMBL7822527

CC(=O)NCc1cc(-n2c(C)cnc(NCCc3c[nH]c4ccccc34)c2=O)c(N)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ F2 P00734 15/20 0.46
▸ PRSS1 P07477 8/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ MASP2 O00187 1/20 0.44
▸ PDPK1 O15530 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MAPT P10636 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
SCHEMBL7817861 0.84 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7811676 0.83 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825524 0.82 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7820059 0.82 F2 (0.51) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819433 0.82 F2 (0.62) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819935 0.82 F2 (0.46) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7818207 0.82 F2 (0.47) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825334 0.80 F2 (0.50) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7817160 0.79 F2 (0.41) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL8420322 0.79 F2 (0.61) F2PRSS1PRSS2PRSS3MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 — — EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
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