SCHEMBL8196423

SCHEMBL8196423

N#CN=C(NCCN1CCC(NC(c2ccccc2)c2ccccc2)CC1)Nc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
PRCP P42785 2/20 0.35

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
SCHEMBL8195156 0.85 SLC6A2 (0.36) MEN1CYP2C9CYP2C19KMT2ASLC6A2
SCHEMBL8187857 0.85 BCHE (0.45) SLC6A2SLC6A3
SCHEMBL8195536 0.84 MEN1 (0.40) MEN1CYP2C9CYP2C19KMT2A
SCHEMBL8195700 0.84 KCNA3 (0.42) SLC6A2SLC6A3
SCHEMBL8195133 0.83 CA1 (0.48) MEN1KMT2A
SCHEMBL7979784 0.81 MGLL (0.37) MGLLSLC6A2SLC6A3CARM1PRMT6
SCHEMBL8187458 0.78 DRD2 (0.46) MEN1KMT2A
SCHEMBL8195618 0.77 DRD2 (0.50)
SCHEMBL2552769 0.73 SIGMAR1 (0.47) MEN1KMT2A
SCHEMBL2552771 0.73 SIGMAR1 (0.47) MEN1KMT2A

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-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed