SCHEMBL9872410

SCHEMBL9872410

CC(c1ccccc1)n1nnnc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 6/20 0.40
MCOLN2 Q8IZK6 1/20 0.40
BRD4 O60885 1/20 0.39
FAAH O00519 1/20 0.39
MC4R P32245 1/20 0.37
HPGD P15428 1/20 0.37
ROCK2 O75116 1/20 0.36
MAOA P21397 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL12844387 0.80 MEN1 (0.46) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL24038267 0.80 MEN1 (0.46) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL12141917 0.79 MCOLN2 (0.47) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL9208351 0.76 MCOLN2 (0.45) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL96014 0.75 NPSR1 (0.40) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL96013 0.75 FAAH (0.39) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL8881202 0.72 DAGLA (0.39) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL8881199 0.72 DAGLA (0.39) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL11642483 0.69 MEN1 (0.46) CYP2D6KMT2AMEN1HSD17B10KDM4E
SCHEMBL6360844 0.68 CYP1A2 (0.51) KMT2AMEN1HSD17B10LMNAMCOLN2

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
US-5073565-A Atherosclerosis, anticholesterol WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed