SCHEMBL22277121

SCHEMBL22277121

c1ccc2cc3c(cc2c1)c1cc2c(cc1n3-c1nc3ccccc3nc1-c1ccc3c(c1)sc1ccccc13)sc1ccccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
GPR3 P46089 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21212910 0.93 HPGD (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22277138 0.92 ESR1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21282003 0.89 TUBB4A (0.35)
SCHEMBL21213185 0.89 ESR1 (0.32) HPGDRAB9ASMN1; SMN2ESR1ESR2
SCHEMBL21213250 0.88 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21941971 0.88 KDM4E (0.34) L3MBTL1
SCHEMBL21716709 0.87 HPGD (0.31) HPGD
SCHEMBL21717562 0.87 HPGD (0.31) HPGD
SCHEMBL22277134 0.86 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21716205 0.86 HPGD (0.30) HPGD

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-2020153652-A1 COMPOUND, AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME 주식회사 엘지화학 2020-07-30 WO disclosed