SCHEMBL24471663

SCHEMBL24471663

c1ccc(-c2ccc(N(c3cccc(-c4cccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)c4)c3)c3ccc4c(c3)oc3cc(-c5ccccc5)ccc34)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.38
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ DUSP3 P51452 1/20 0.35
▸ AHR P35869 2/20 0.35
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33

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
SCHEMBL24472061 0.99 HCRTR1 (0.36) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL15138656 0.96 AHR (0.37) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL24471667 0.96 AHR (0.37) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL14295280 0.96 AHR (0.37) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL14295279 0.95 AHR (0.38) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL14295472 0.95 AHR (0.38) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL14295473 0.95 AHR (0.38) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL10110475 0.94 MMP12 (0.40) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL19103111 0.94 MMP12 (0.36) HCRTR1MMP12MMP13DUSP3AHR
SCHEMBL10110460 0.94 MMP12 (0.40) HCRTR1MMP12MMP13DUSP3AHR

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-20220173325-A1 LIGHT EMITTING DIODE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-02 — — US disclosed
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