SCHEMBL28593575

SCHEMBL28593575

CC(NC(=O)OC(C)(C)C)C(=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.54
▸ MASP2 O00187 2/20 0.48
▸ AAK1 Q2M2I8 1/20 0.42
▸ NAMPT P43490 6/20 0.41
▸ BUB1 O43683 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL30387402 1.00 F2 (0.54) F2MASP2AAK1NAMPTBUB1
SCHEMBL23478384 1.00 F2 (0.54) F2MASP2AAK1NAMPTBUB1
Trifluoroacetic Acid SCHEMBL30632844 0.95 F2 (0.53) F2MASP2AAK1NAMPTBUB1
SCHEMBL23478663 0.87 SMN1; SMN2 (0.48) F2NAMPTCYP2C9SMN1; SMN2CYP3A4
SCHEMBL30632885 0.87 SMN1; SMN2 (0.48) F2NAMPTCYP2C9SMN1; SMN2CYP3A4
SCHEMBL23452548 0.85 F2 (0.61) F2MASP2NAMPTCYP2C9SMN1; SMN2
SCHEMBL23452545 0.85 F2 (0.61) F2MASP2NAMPTCYP2C9SMN1; SMN2
Trifluoroacetic Acid SCHEMBL23452474 0.82 F2 (0.57) F2MASP2NAMPTCYP2C9CYP3A4
SCHEMBL23461311 0.79 F2 (0.52) F2MASP2NAMPTCYP2C9SMN1; SMN2
SCHEMBL23461309 0.79 F2 (0.52) F2MASP2NAMPTCYP2C9SMN1; SMN2

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
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 — — CN disclosed
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