SCHEMBL21242267

SCHEMBL21242267

c1ccc(/N=N/c2ccc(-c3ccc(-c4ccc(/N=N/c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 6/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
PKM P14618 1/20 0.62
HTT P42858 1/20 0.62
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
TDP1 Q9NUW8 5/20 0.54
MAPK1 P28482 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TRPA1 O75762 1/20 0.54
KDM4E B2RXH2 1/20 0.50
HSP90AA1 P07900 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL1178119 1.00 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL1177600 1.00 ALDH1A1 (0.75) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL1405398 0.97 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL1405397 0.97 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTRAB9A
Water SCHEMBL28283150 0.94 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL22171083 0.94 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTRAB9A
Azobenzene SCHEMBL28342836 0.90 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTRAB9A
Azobenzene SCHEMBL8654579 0.90 ALDH1A1 (0.80) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21023910 0.90 ALDH1A1 (0.92) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21024214 0.90 ALDH1A1 (0.92) ALDH1A1MEN1KMT2AMAPTRAB9A

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
EP-3412734-B1 DYE COMPOUND, COMPOSITION COMPRISING THE DYE COMPOUND, AND DISPLAY DEVICE USING THE DYE COMPOUND SAMSUNG DISPLAY CO LTD (KR) 2019-08-07 EP disclosed