SCHEMBL23493049

SCHEMBL23493049

CNCc1cc2cnccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.46
▸ DAO P14920 1/20 0.45
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ NAMPT P43490 5/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ NR3C1 P04150 7/20 0.41
▸ NR3C2 P08235 7/20 0.41
▸ PGR P06401 5/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ NCOR2 Q9Y618 2/20 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
SCHEMBL30765591 0.83 NAMPT (0.48) DAONAMPTCYP2C9MAPTF2
SCHEMBL18643043 0.81 DAO (0.49) DAOPDE3BPDE3ANAMPTCYP2C9
SCHEMBL23452339 0.78 F2 (0.48) DAONAMPTCYP2C9NR3C1NR3C2
SCHEMBL6066464 0.77 LOXL2 (0.56) CYP2A6DAOPDE3BPDE3ANR3C1
SCHEMBL1161438 0.77 DAO (0.53) DAOPDE3BPDE3ANAMPTCYP2C9
SCHEMBL1161735 0.77 DAO (0.49) DAOPDE3BPDE3ANAMPTCYP2C9
SCHEMBL8263862 0.77 DAO (0.45) DAOPDE3BPDE3ANAMPTCYP2C9
Hydrochloric Acid SCHEMBL27144900 0.76 LOXL2 (0.55) CYP2A6DAOPDE3BPDE3ANR3C1
Hydrochloric Acid SCHEMBL27140516 0.76 LOXL2 (0.55) CYP2A6DAOPDE3BPDE3ANR3C1
SCHEMBL26703893 0.75 F2 (0.50) DAOPDE3BPDE3ANAMPTNR3C1

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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