SCHEMBL20969294

SCHEMBL20969294

CC(C(=O)CC(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MMP1 P03956 4/20 0.46
MMP3 P08254 4/20 0.46
HPGD P15428 1/20 0.45
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL3651432 1.00 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL28295623 0.85 MEN1 (0.51) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL8476480 0.83 MEN1 (0.51) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL8477591 0.83 MEN1 (0.51) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL7149533 0.82 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL5146172 0.82 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL5271778 0.82 MEN1 (0.58) MEN1KMT2ANPC1RAB9AMMP1
SCHEMBL21220029 0.82 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9A
SCHEMBL1642202 0.82 ALDH1A1 (0.52) MEN1KMT2ANPC1RAB9A
SCHEMBL19783897 0.81 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMMP1

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
EP-3481823-A1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2019-05-15 EP disclosed