SCHEMBL3343576

SCHEMBL3343576

CCCN(CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
TLR9 Q9NR96 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G2A P14555 1/20 0.38
HCAR3 P49019 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL3341126 0.90 EGFR (0.42) L3MBTL1POLBMAPK1MEN1USP2
SCHEMBL3345334 0.86 ALDH1A1 (0.51) L3MBTL1POLBMAPK1MEN1USP2
SCHEMBL340532 0.85 MEN1 (0.42) L3MBTL1POLBMAPK1MEN1USP2
SCHEMBL3348811 0.84 KEAP1 (0.49) L3MBTL1MAPK1MAPTCNR2EGFR
SCHEMBL430658 0.84 TP53 (0.49) L3MBTL1MEN1ALDH1A1KMT2ATDP1
SCHEMBL3349327 0.83 CNR2 (0.43) L3MBTL1MEN1ALDH1A1MAPTKMT2A
SCHEMBL7402095 0.81 ALDH1A1 (0.46) L3MBTL1MEN1USP2ALDH1A1MAPT
SCHEMBL1432811 0.81 DRD2 (0.44) L3MBTL1POLBMAPK1MEN1USP2
SCHEMBL10407546 0.81 SMN1; SMN2 (0.46) L3MBTL1POLBMAPK1MEN1USP2
SCHEMBL8517506 0.80 RAB9A (0.47) L3MBTL1POLBMAPK1MEN1MAPT

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-20100159691-A1 PHOTOSENSITIVE RESIN COMPOSITION AND LAMINATE ASAHI KASEI EMD CORPORATION (JP) 2010-06-24 US disclosed