SCHEMBL16483490

SCHEMBL16483490

c1cnc2ccc(-c3ccc(-c4ccc5ccc6c(-c7cccc8cccnc78)ccc7ccc4c5c76)cc3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ DYRK1A Q13627 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 3/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ CCR8 P51685 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL16483436 0.93 POLB (0.50) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL13682493 0.90 POLB (0.60) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL16483435 0.90 PDGFRB (0.46) POLBNPC1RAB9ALMNATP53
SCHEMBL16483642 0.89 POLB (0.53) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL16483484 0.89 POLB (0.49) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL16483536 0.88 POLB (0.62) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL16483098 0.88 POLB (0.54) POLBNPC1RAB9ADYRK1ALMNA
SCHEMBL13682530 0.87 POLB (0.57) POLBNPC1RAB9ADYRK1ATP53
SCHEMBL16483535 0.87 LMNA (0.48) LMNATP53MMP2PSMD14SMN1; SMN2
SCHEMBL16483434 0.86 LMNA (0.49) LMNATP53MMP2SMN1; SMN2CCR1

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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