SCHEMBL16307271

SCHEMBL16307271

CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2c(C)sc(-c3ccc(C)s3)c2C1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 2/20 0.34
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL20279592 0.91
SCHEMBL20173343 0.86
SCHEMBL19758000 0.86
SCHEMBL20176778 0.85
SCHEMBL14725895 0.84 HSF1 (0.39) HSF1ALDH1A1HPGD
SCHEMBL19758044 0.84 HSF1 (0.31) HSF1
SCHEMBL16307275 0.84 HSF1 (0.33) HSF1KMT2AMEN1NPSR1MAPT
SCHEMBL18590826 0.83
SCHEMBL19758015 0.83 HSF1 (0.32) HSF1
SCHEMBL16307283 0.83 LMNA (0.35) KMT2AKDM4EALDH1A1THRBHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed