SCHEMBL16483776

SCHEMBL16483776

c1ccc(-c2cc(-c3ccccn3)cc(-c3ccc4ccc5ccc(-c6ccc7ncccc7c6)c6ccc3c4c56)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ DYRK1A Q13627 1/20 0.42
▸ GRM4 Q14833 1/20 0.40
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL16483333 1.00 POLB (0.49) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16484860 0.94 NPC1 (0.50) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483268 0.91 POLB (0.51) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483067 0.88 POLB (0.60) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483772 0.88 POLB (0.60) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483418 0.88 POLB (0.53) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483258 0.88 PDGFRB (0.43) DYRK1AGRM4AKR1C3AKR1C2PIK3CD
SCHEMBL16483089 0.85 POLB (0.60) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483777 0.85 DHODH (0.42) POLBNPC1RAB9AALDH1A1TP53
SCHEMBL16483748 0.85 DHODH (0.42) POLBNPC1RAB9AALDH1A1TP53

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
WO-2014057873-A1 PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME 東レ株式会社 (JP) 2014-04-17 — — WO disclosed
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