SCHEMBL21890975

SCHEMBL21890975

c1ccc(-c2ccc3oc(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)nc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HPSE Q9Y251 3/20 0.42
AGPAT2 O15120 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
KDM4E B2RXH2 4/20 0.40
CASP3 P42574 3/20 0.40
SENP7 Q9BQF6 3/20 0.40
SENP6 Q9GZR1 3/20 0.40
SENP8 Q96LD8 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21890976 0.92 HPSE (0.46) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21890974 0.91 ESR1 (0.44) MAPTHPGDALDH1A1KDM4EESR1
SCHEMBL21891229 0.91 ALDH1A1 (0.45) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21890956 0.91 ALDH1A1 (0.45) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21890940 0.90 ALDH1A1 (0.45) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21891097 0.88 ALDH1A1 (0.47) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21890963 0.88 ALDH1A1 (0.45) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL23473671 0.87 SMN1; SMN2 (0.43) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL25459429 0.87 NPC1 (0.44) MAPTHPGDALDH1A1HSD17B10MEN1
SCHEMBL21891232 0.87 HPGD (0.43) MAPTHPGDALDH1A1HSD17B10MEN1

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
WO-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed