SCHEMBL21890973

SCHEMBL21890973

c1ccc(-c2ccc3nc(-c4ccc(-c5cc(-c6ccc(-c7ccc8oc(-c9ccc(-c%10cccc%11c%10sc%10c(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)cccc%10%11)cc9)nc8c7)cc6)cc6c5sc5c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc56)cc4)oc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.39
CASP3 P42574 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
HPSE Q9Y251 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
GPR119 Q8TDV5 11/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL21890972 0.90 HPSE (0.37) VSIRHPSEKDM4EHPGDGAA
SCHEMBL21890971 0.86 VSIR (0.44) VSIRSMN1; SMN2HPSEKDM4ENPC1
SCHEMBL21890976 0.86 HPSE (0.46) CASP3SMN1; SMN2SENP7SENP6HPSE
SCHEMBL21890974 0.85 ESR1 (0.44) VSIRKDM4EHPGDGPR119
SCHEMBL21890975 0.85 MAPT (0.44) CASP3SMN1; SMN2SENP7SENP6HPSE
SCHEMBL21890997 0.85 ALDH1A1 (0.44) CASP3SMN1; SMN2SENP7SENP6KDM4E
SCHEMBL21891137 0.84 NPC1 (0.49) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL23473731 0.84 GPR119 (0.42) VSIRSMN1; SMN2KDM4ENPC1HPGD
SCHEMBL23473671 0.84 SMN1; SMN2 (0.43) CASP3SMN1; SMN2SENP7SENP6HPSE
SCHEMBL25459429 0.84 NPC1 (0.44) CASP3SMN1; SMN2SENP7SENP6KDM4E

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