SCHEMBL11111902

SCHEMBL11111902

COC(=O)C1(CN=Cc2ccccc2)C=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
FAAH O00519 2/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
MIF P14174 1/20 0.32
PLA2G7 Q13093 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL29111459 0.70
SCHEMBL11004660 0.68 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL9715750 0.67 HDAC3 (0.38) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL11117483 0.66 MAPT (0.35) CA2CA1MEN1KMT2AMAPT
SCHEMBL7520115 0.65
SCHEMBL3384931 0.65 LMNA (0.52) CA2CA1RAB9AMEN1KMT2A
SCHEMBL6118220 0.65 LMNA (0.52) CA2CA1RAB9AMEN1KMT2A
SCHEMBL687935 0.65 LMNA (0.52) CA2CA1RAB9AMEN1KMT2A
SCHEMBL8263360 0.64 LMNA (0.44) CA2CA1RAB9AMEN1KMT2A
SCHEMBL6667419 0.64 HSD11B1 (0.37) MEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035743-B1 PROCESS FOR THE PREPARATION OF DIPEPTIDES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1984-11-07 EP disclosed
US-4352752-A Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-10-05 US disclosed
EP-0035743-A1 Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-09-16 EP disclosed