SCHEMBL29927111

SCHEMBL29927111

Clc1cc(-c2ccccc2)cc(-c2ccc(-c3nc(Cl)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR1I3 Q14994 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL30969418 0.95 AHR (0.50) AHRMMP12MMP13MEN1KMT2A
SCHEMBL31336570 0.93 AHR (0.47) AHRMMP12MMP13MEN1KMT2A
SCHEMBL21178097 0.93 AHR (0.47) AHRMMP12MMP13MEN1KMT2A
SCHEMBL29445832 0.93 AHR (0.50) AHRMMP12MMP13MEN1KMT2A
SCHEMBL20894620 0.93 AHR (0.50) AHRMMP12MMP13MEN1KMT2A
SCHEMBL30864247 0.93 AHR (0.50) AHRMMP12MMP13MEN1KMT2A
SCHEMBL26598936 0.93 AHR (0.50) AHRMMP12MMP13MEN1KMT2A
SCHEMBL23437375 0.92 AHR (0.49) AHRMMP12MMP13MEN1KMT2A
SCHEMBL29637769 0.92 AHR (0.51) AHRMMP12MMP13MEN1KMT2A
SCHEMBL30343350 0.92 AHR (0.51) AHRMMP12MMP13MEN1KMT2A

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-2022191569-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-09-15 WO disclosed