SCHEMBL30180727

SCHEMBL30180727

Clc1ccc2[nH]c3cc4ccccc4cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ CHUK O15111 1/20 0.50
▸ CYP2A6 P11509 1/20 0.48
▸ MAP2 P11137 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL21448352 1.00 MEN1 (0.51) MEN1KMT2ARXFP1KDM4ECASP1
SCHEMBL21448261 0.89 ALDH1A1 (0.50) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL21717474 0.89 CHUK (0.50) MEN1KMT2ARXFP1KDM4ECASP1
SCHEMBL30180882 0.89 ALDH1A1 (0.50) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL21448386 0.84 AHR (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL30180942 0.84 AHR (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL30180806 0.84 AHR (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL21448183 0.84 AHR (0.57) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL550449 0.83 CHUK (0.60) MEN1KMT2ARXFP1HSD17B10ALDH1A1
SCHEMBL607827 0.83 CHUK (0.64) MEN1KMT2ARXFP1KDM4EHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110024155-B Organic light emitting device 株式会社LG化学 2023-07-04 — — CN disclosed
CN-110291066-B Compound and organic electroluminescent element comprising same 株式会社LG化学(KR) 2023-01-13 — — CN disclosed
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