SCHEMBL16483370

SCHEMBL16483370

c1ccc2c(c1)-c1cccc3c(-c4ccc(-n5c6cnccc6c6c7ccccc7ccc65)cc4)ccc-2c13

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.42
▸ DYRK1A Q13627 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GFER P55789 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALK Q9UM73 1/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL16483387 0.91 TNF (0.36) TNFDYRK1AKDM4ECDK4CCND1
SCHEMBL16483426 0.91 TNF (0.45) TNFDYRK1AALDH1A1HPGDKDM4E
SCHEMBL16484883 0.90 TNF (0.43) TNFDYRK1AALDH1A1HPGDKDM4E
SCHEMBL16483163 0.89 TNF (0.40) TNFDYRK1AALDH1A1HPGDKDM4E
SCHEMBL16483438 0.89 TNF (0.45) TNFDYRK1AKDM4EGFERNPSR1
SCHEMBL17341213 0.87 L3MBTL1 (0.37) TNFALDH1A1HPGDKDM4ETSHR
SCHEMBL16483356 0.86 DYRK1A (0.39) TNFDYRK1AKDM4EKCNH2CDK4
SCHEMBL16483406 0.86 TNF (0.41) TNFDYRK1AALDH1A1HPGDKDM4E
SCHEMBL17341424 0.86 L3MBTL1 (0.39) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL16483354 0.84 TNF (0.39) TNFDYRK1AALDH1A1HPGDGFER

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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