SCHEMBL23814705

SCHEMBL23814705

Bc1c(B)c(-c2c3c(B)c(B)c(B)c(B)c3c(-c3c(B)c4c(B)c(B)c(B)c(B)c4c4c(B)c(B)c(B)c(B)c34)c3c(B)c(B)c(B)c(B)c23)c(B)c(B)c1-c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HCRTR1 O43613 1/20 0.34
HTR2B P41595 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAOA P21397 3/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL23814399 0.97 AHR (0.41) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL24448724 0.94 AHR (0.41) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL23814362 0.93 AHR (0.42) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL24983369 0.93 AHR (0.42) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL23814475 0.92 MAPT (0.40) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL23814364 0.89 MAPT (0.40) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL27027802 0.89 AHR (0.41) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL23814449 0.89 MAPT (0.41) AHRMEN1KMT2AMAPTKDM4E
SCHEMBL23814484 0.88
SCHEMBL23814710 0.88 MAPT (0.41) AHRMEN1KMT2AMAPTKDM4E

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
US-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed