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SCHEMBL20208937

SCHEMBL20208937

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6c(cc43)Oc3cc(-c4ccncc4)ccc3N6c3ccc(-c4ccncc4)cc3O5)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR6 P50406 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
SCHEMBL20208949 0.88 TSHR (0.32) MAPTNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL20208934 0.87 MEN1 (0.33) HSD17B10MEN1KMT2A
SCHEMBL20208630 0.86 P2RX4 (0.30) —
SCHEMBL22145790 0.86 MAPT (0.33) MAPTNPC1NFKB1RAB9ANFKB2
SCHEMBL20208636 0.84 ALDH1A1 (0.38) MAPTHSD17B10MEN1KMT2A
SCHEMBL20208650 0.84 — —
SCHEMBL20208941 0.84 CYP1A2 (0.35) MAPTHSD17B10MEN1KMT2A
SCHEMBL22145876 0.81 TSPO (0.32) —
SCHEMBL20209403 0.79 — —
SCHEMBL20208970 0.78 MEN1 (0.30) MEN1KMT2A

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
EP-3544986-B1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-23 — — EP disclosed
WO-2018095839-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-31 — — WO disclosed