SCHEMBL23461311

SCHEMBL23461311

CC(N)C(=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.52
▸ MASP2 O00187 1/20 0.46
▸ NAMPT P43490 9/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ F3 P13726 3/20 0.42
▸ F10 P00742 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ DAO P14920 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ NCOR2 Q9Y618 2/20 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
SCHEMBL23461309 1.00 F2 (0.52) F2MASP2NAMPTCYP2C9F3
Trifluoroacetic Acid SCHEMBL29880434 0.93 F2 (0.50) F2MASP2NAMPTCYP2C9F3
Trifluoroacetic Acid SCHEMBL23452218 0.93 F2 (0.50) F2MASP2NAMPTCYP2C9F3
SCHEMBL29202484 0.85 F2 (0.49) F2MASP2NAMPTCYP2C9F3
SCHEMBL29202481 0.85 F2 (0.49) F2MASP2NAMPTCYP2C9F3
SCHEMBL23452548 0.84 F2 (0.61) F2MASP2NAMPTCYP2C9F3
SCHEMBL23452545 0.84 F2 (0.61) F2MASP2NAMPTCYP2C9F3
SCHEMBL30765591 0.83 NAMPT (0.48) F2NAMPTCYP2C9DAOSMN1; SMN2
SCHEMBL23452339 0.81 F2 (0.48) F2NAMPTCYP2C9DAOSMN1; SMN2
SCHEMBL23491228 0.81 NAMPT (0.46) F2NAMPTCYP2C9F3DAO

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-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
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