SCHEMBL29970938

SCHEMBL29970938

CNc1ccc2ccc(CCl)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
METTL3 Q86U44 4/20 0.39
NOS1 P29475 3/20 0.35
NOS2 P35228 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL23273967 1.00 NCF1 (0.50) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL8393731 0.83 NCF1 (0.52) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL20475558 0.81 NCF1 (0.50) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL23283355 0.81 NCF1 (0.50) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL14103941 0.80 NCF1 (0.48) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL8039395 0.79 NCF1 (0.47) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL22521545 0.79 NCF1 (0.47) NCF1METTL3NOS1NOS2MCHR1
SCHEMBL18572404 0.76 PRMT5 (0.42) METTL3MCHR1KMT2A
SCHEMBL28070057 0.75 NCF1 (0.55) NCF1MAOBKMT2A
SCHEMBL24635162 0.73 NCF1 (0.49) NCF1METTL3NOS1NOS2MAOB

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-115279756-A METTL3 modulators 埃克森特治疗公司 2022-11-01 CN disclosed