SCHEMBL14716574

SCHEMBL14716574

CCCCC(CC)CN1C(=O)c2c(-c3cccs3)sc(-c3cccs3)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
HPGD P15428 6/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 3/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
SLC6A2 P23975 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
SCHEMBL21970639 0.87 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDKMT2ATSHR
SCHEMBL17725692 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL15277892 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL14716959 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL1277028 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL19679956 0.79 KDM4E (0.39) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL2009284 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRCYP3A4
SCHEMBL14716539 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTSHRCYP3A4
SCHEMBL12361099 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDKMT2ATHRB
SCHEMBL18066970 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816035-B2 Photoactive polymers UNIVERSITE LAVAL (CA) 2014-08-26 US disclosed
US-20130048075-A1 NOVEL PHOTOACTIVE POLYMERS UNIVERSITE LAVAL (CA) 2013-02-28 US disclosed