SCHEMBL6281427

SCHEMBL6281427

CC1=CC(=C(C#N)C#N)C=C(c2ccc(N(C)C)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
MAPT P10636 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
CASP3 P42574 1/20 0.33
APP P05067 4/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4702648 0.82 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL19416241 0.79 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL19666015 0.76 APP (0.35) ALDH1A1MAPTKMT2AMEN1APP
SCHEMBL36939 0.76 KDM4E (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL27218564 0.76 MEN1 (0.41) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL28980723 0.76 KDM4E (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL36940 0.76 KDM4E (0.43) ALDH1A1MAPTKMT2AMEN1KDM4E
Iodide SCHEMBL29042227 0.75 KDM4E (0.42) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL1097940 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL27537779 0.73 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AMEN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6853416-B2 Liquid crystal display device HITACHI, LTD. (JP) 2005-02-08 US disclosed
US-20020011971-A1 Liquid crystal display device HITACHI, LTD. 2002-01-31 US disclosed