SCHEMBL23491228

SCHEMBL23491228

NCC(=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ DAO P14920 1/20 0.44
▸ F2 P00734 2/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ F3 P13726 2/20 0.42
▸ CACNA1H O95180 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL23452339 0.85 F2 (0.48) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL30765591 0.83 NAMPT (0.48) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL23461311 0.81 F2 (0.52) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL23461309 0.81 F2 (0.52) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL11856052 0.80 LOXL2 (0.56) HDAC1HDAC3HDAC2
SCHEMBL23478663 0.77 SMN1; SMN2 (0.48) NAMPTCYP2C9F2CACNA1HSMN1; SMN2
SCHEMBL30632885 0.77 SMN1; SMN2 (0.48) NAMPTCYP2C9F2CACNA1HSMN1; SMN2
SCHEMBL29202481 0.76 F2 (0.49) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL29202484 0.76 F2 (0.49) NAMPTCYP2C9DAOF2HDAC1
SCHEMBL6066464 0.76 LOXL2 (0.56) DAO

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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