SCHEMBL8686089

SCHEMBL8686089

CCN(CCCO)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPK1 P28482 6/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
MEN1 O00255 4/20 0.44
RECQL P46063 3/20 0.44
USP2 O75604 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TLR9 Q9NR96 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
PSMD14 O00487 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL8167313 0.93 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL8686227 0.89 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL9807489 0.88 LSS (0.38) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL9807499 0.84 LSS (0.41) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL15714440 0.83 CNR2 (0.43) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL8063907 0.81 ALDH1A1 (0.64) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL4333663 0.81 TSHR (0.52) ALDH1A1KMT2AMAPTMEN1USP2
SCHEMBL1274940 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL9807501 0.81 LSS (0.39) ALDH1A1MAPK1KMT2AMAPTL3MBTL1
SCHEMBL1432466 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1KMT2AMAPTL3MBTL1

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-5834575-A POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-11-10 US disclosed