SCHEMBL8686227

SCHEMBL8686227

CCN(CCO)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
MAPK1 P28482 5/20 0.46
MEN1 O00255 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
RECQL P46063 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 2/20 0.46
POLB P06746 2/20 0.46
TLR9 Q9NR96 1/20 0.46
NPC1 O15118 3/20 0.44
PSMD14 O00487 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
TRPM5 Q9NZQ8 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL8038944 0.89 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL8686089 0.89 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL8039657 0.87 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL11074142 0.87 POLB (0.42) ALDH1A1KMT2AMAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL8040784 0.87 KMT2A (0.49) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL8167313 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL8042521 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL1432466 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL10485747 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL381900 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMAPK1MEN1

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