SCHEMBL21890976

SCHEMBL21890976

c1ccc(-c2ccc3oc(-c4cccc(-c5cccc6c5sc5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)c4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 7/20 0.46
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
POLB P06746 1/20 0.41
SENP8 Q96LD8 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
TP53 P04637 2/20 0.37

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
SCHEMBL25459500 0.94 HPSE (0.43) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL21890975 0.92 MAPT (0.44) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL21890971 0.92 VSIR (0.44) HPSEGAANPC1RAB9ASMN1; SMN2
SCHEMBL25459432 0.90 TP53 (0.43) HPSEGAANPC1RAB9ASMN1; SMN2
SCHEMBL25753261 0.89 RAB9A (0.49) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL25459498 0.88 ALOX5 (0.46) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL21890973 0.86 VSIR (0.39) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL23473671 0.86 SMN1; SMN2 (0.43) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL25459436 0.85 HPSE (0.40) HPSEGAAL3MBTL1NPC1RAB9A
SCHEMBL25459615 0.85 SMN1; SMN2 (0.43) HPSENPC1RAB9ASMN1; SMN2KDM4E

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