SCHEMBL1689980

SCHEMBL1689980

CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C)s4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
HSF1 Q00613 2/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.31
PDE2A O00408 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
PPARG P37231 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL25451106 0.98 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL20049181 0.94 KDM4E (0.38) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL12976553 0.91 KDM4E (0.37) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL9891122 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL16977963 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL18877429 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL12194241 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL16522149 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL1689866 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB
SCHEMBL16154640 0.91 ALDH1A1 (0.33) ALDH1A1KMT2AKDM4EHPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912305-B2 Diketopyrrolopyrrole polymers for use in organic field effect transistors BASF SE (DE) 2014-12-16 US disclosed
US-8912305-B2 Diketopyrrolopyrrole polymers for use in organic field effect transistors BASF SE (DE) 2014-12-16 US disclosed
US-20120085992-A1 Furan Conjugated Polymers Useful for Photovoltaic Applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-12 US disclosed
US-20120085992-A1 Furan Conjugated Polymers Useful for Photovoltaic Applications THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-12 US disclosed