Sugi Predict

Sugi Predict / Compounds / SCHEMBL21300972

SCHEMBL21300972

SCHEMBL21300972

CCOP(=O)(OCC)/C(C#N)=C\c1ccc(-c2ccc(-c3cc(C)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)c3nsnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR1I2 O75469 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ APP P05067 1/20 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
SCHEMBL21300978 0.90 MAPT (0.34) NEK2MAPTAPP
SCHEMBL16111536 0.88 NEK2 (0.44) NEK2KMT2ALMNAKDM4EMEN1
SCHEMBL14948615 0.88 NEK2 (0.44) NEK2KMT2ALMNAKDM4EMEN1
SCHEMBL21005811 0.83 MAPT (0.46) KMT2AMEN1MAPTAPP
SCHEMBL21300973 0.83 MAPT (0.31) MAPTAPP
SCHEMBL21300982 0.82 MAPT (0.35) KMT2AMEN1MAPTAPP
SCHEMBL16111776 0.79 NEK2 (0.32) NEK2MAPT
SCHEMBL14948631 0.79 NEK2 (0.32) NEK2MAPT
SCHEMBL21301096 0.79 MAPT (0.46) KMT2AKDM4EMEN1MAPTAPP
SCHEMBL21300979 0.77 APP (0.37) KDM4EMAPTAPP

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
EP-2776515-B1 ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2019-08-28 — — EP disclosed
Send feedback