SCHEMBL24550963

SCHEMBL24550963

Clc1ccc2c(c1)oc1cc3sc(-c4ccccc4)nc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ APP P05067 2/20 0.44
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ EGFR P00533 2/20 0.42

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
SCHEMBL24551290 0.97 AHR (0.46) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24552326 0.95 AHR (0.48) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24551970 0.93 AHR (0.46) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24551369 0.92 SMN1; SMN2 (0.45) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24552789 0.90 APP (0.45) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24550447 0.87 SMN1; SMN2 (0.45) AHRSMN1; SMN2KDM4EHPGDMEN1
SCHEMBL24550398 0.85 KDM4E (0.46) SMN1; SMN2KDM4EHPGDMEN1ALDH1A1
SCHEMBL24552645 0.84 KDM4E (0.45) SMN1; SMN2KDM4EHPGDMEN1ALDH1A1
SCHEMBL24553410 0.83 AHR (0.50) AHRSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL24552620 0.83 AHR (0.43) AHRSMN1; SMN2KDM4EHPGDALDH1A1

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-2022131869-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-23 — — WO disclosed
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