SCHEMBL28046567

SCHEMBL28046567

O=C(Nc1ccc(Br)cc1)NC(Cc1cnc[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.58
▸ PTGS2 P35354 1/20 0.44
▸ CAPN1 P07384 1/20 0.43
▸ MTOR P42345 5/20 0.42
▸ JAK2 O60674 1/20 0.41

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
SCHEMBL28046628 1.00 F10 (0.58) F10PTGS2CAPN1MTORJAK2
SCHEMBL28046575 0.92 F10 (0.58) F10CAPN1MTOR
SCHEMBL28046577 0.92 F10 (0.58) F10CAPN1MTOR
SCHEMBL28046568 0.92 F10 (0.70) F10PTGS2CAPN1
SCHEMBL28046569 0.92 F10 (0.70) F10PTGS2CAPN1
SCHEMBL28274518 0.89 F10 (0.53) F10PTGS2CAPN1MTOR
SCHEMBL28046600 0.83 LTA4H (0.51) F10
SCHEMBL28046597 0.83 LTA4H (0.51) F10
SCHEMBL28046620 0.83 LTA4H (0.51) F10
SCHEMBL28046647 0.82 F10 (0.62) F10PTGS2

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
CN-105294669-B A kind of factor X inhibitor and its preparation method and application 山东凯森制药有限公司 2019-01-22 — — CN disclosed
CN-105294669-A Tenth factor inhibitor and preparation method and application thereof SHANDONG KAISEN PHARMA CO LTD 2016-02-03 — — CN disclosed
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