SCHEMBL22316643

SCHEMBL22316643

Bc1c(Cl)ccc2c1oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
ALOX5 P09917 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TTR P02766 1/20 0.38
PGR P06401 1/20 0.37
PTGS2 P35354 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAOA P21397 4/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
PGAM1 P18669 1/20 0.36
CASP1 P29466 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
SCHEMBL22315502 0.80 AHR (0.41) AHRCYP1A2MAPTDYRK1ALMNA
SCHEMBL22316804 0.79 CYP1A2 (0.46) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL22316805 0.78 CYP2A6 (0.42) AHRCYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL23611394 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL12925908 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL30985275 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL23623460 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL22883938 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL22233752 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6
SCHEMBL29833195 0.78 AHR (0.51) AHRSMN1; SMN2ALOX5CYP1A2CYP2A6

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-2020159333-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed