SCHEMBL5403330

SCHEMBL5403330

CCC(N)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
RIPK1 Q13546 2/20 0.42
HPGD P15428 1/20 0.42
AOC3 Q16853 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4955854 0.81 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL11556218 0.81 KMT2A (0.56) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL677191 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL27171232 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL27171227 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3385998 0.79 MEN1 (0.51) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15670940 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15812399 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1642165 0.77 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3203375 0.77 AOC3 (0.48) KMT2AALDH1A1LMNAAOC3NPSR1

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-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed