SCHEMBL16521682

SCHEMBL16521682

Cc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(C3C(c5ccccc5)=Cc5ccccc53)cc(C3C(c5ccccc5)=Cc5ccccc53)c2)C4=O)ccc1/C=C/c1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(C3C(c5ccccc5)=Cc5ccccc53)cc(C3C(c5ccccc5)=Cc5ccccc53)c2)C4=O)cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL16521640 0.96 NR1H2 (0.32) —
SCHEMBL16521681 0.91 NR1H2 (0.34) MEN1KMT2ANPSR1NPC1ALDH1A1
SCHEMBL16525531 0.91 — —
SCHEMBL16521690 0.91 — —
SCHEMBL16525530 0.87 — —
SCHEMBL16521668 0.83 PDE6D (0.30) —
SCHEMBL16525566 0.82 — —
SCHEMBL16525529 0.81 — —
SCHEMBL16848517 0.76 ALDH1A1 (0.33) KMT2ANPC1ALDH1A1RAB9A
SCHEMBL19757547 0.74 ESR1 (0.40) MEN1KMT2AALDH1A1RAB9A

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-20150053894-A1 Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-02-26 — — US disclosed
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