SCHEMBL21890974

SCHEMBL21890974

c1ccc(-c2ccc3nc(-c4cccc5c4sc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc45)oc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 7/20 0.44
VSIR Q9H7M9 3/20 0.42
GPR119 Q8TDV5 9/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21890971 0.92 VSIR (0.44) ESR1ESR2VSIRGPR119KDM4E
SCHEMBL21890975 0.91 MAPT (0.44) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL21890956 0.91 ALDH1A1 (0.45) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL21891229 0.91 ALDH1A1 (0.45) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL21890940 0.90 ALDH1A1 (0.45) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL21891097 0.88 ALDH1A1 (0.47) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL21890963 0.88 ALDH1A1 (0.45) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL23473731 0.87 GPR119 (0.42) ESR1ESR2VSIRGPR119KDM4E
SCHEMBL21890960 0.87 ALDH1A1 (0.43) ESR1ESR2KDM4EUSP2ALDH1A1
SCHEMBL25459643 0.87 NPC1 (0.44) ESR1ESR2VSIRGPR119KDM4E

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