SCHEMBL16483418

SCHEMBL16483418

c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7ncccc7c6)cc5)ccc5ccc2c3c54)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ DYRK1A Q13627 1/20 0.45
▸ GRM4 Q14833 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ PIK3CA P42336 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ ALDH1A1 P00352 4/20 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
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL16483268 0.94 POLB (0.51) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16484860 0.91 NPC1 (0.50) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483536 0.90 POLB (0.62) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL13682493 0.88 POLB (0.60) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483333 0.88 POLB (0.49) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483776 0.88 POLB (0.49) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483086 0.86 NPC1 (0.54) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483088 0.86 NPC1 (0.54) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL16483420 0.86 NPC1 (0.57) POLBNPC1RAB9ADYRK1AGRM4
SCHEMBL13682530 0.86 POLB (0.57) POLBNPC1RAB9ADYRK1AGRM4

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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