SCHEMBL1934841

SCHEMBL1934841

N#C/C(=C\c1cccnc1Br)C(=O)NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPT P10636 5/20 0.55
MAPK1 P28482 4/20 0.55
EGFR P00533 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
ALOX15 P16050 3/20 0.55
ALOX12 P18054 3/20 0.55
RECQL P46063 3/20 0.55
BLM P54132 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
PKM P14618 2/20 0.55
GMNN O75496 2/20 0.55
ERBB2 P04626 2/20 0.55

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
SCHEMBL1935665 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL4662121 0.81 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL7465966 0.80 KDM4E (0.59) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL7467689 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1934496 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1934010 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL7466157 0.77 TRPV1 (0.55) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1934987 0.76 USP9X (0.72) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1317065 0.76 STAT3 (0.62) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL1317067 0.76 STAT3 (0.62) ALDH1A1MEN1KMT2AHPGDKDM4E

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
EP-2506852-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION Board Of Regents, The University Of Texas System (US) 2012-10-10 EP disclosed
WO-2011069141-A2 INTERFERON THERAPIES IN COMBINATION WITH BLOCKADE OF STAT3 ACTIVATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-09 WO disclosed
EP-2007714-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS The Board of Regents of The University of Texas System (US) 2008-12-31 EP disclosed
WO-2007115269-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-11 WO disclosed