SCHEMBL4294687

SCHEMBL4294687

Nc1ccc(-c2c(N)cc(N)c(N)c2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 2/20 0.46
TAAR1 Q96RJ0 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
APP P05067 1/20 0.36
ACHE P22303 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KIF11 P52732 2/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL7991776 0.81 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1TAAR1HSD17B10
SCHEMBL7515231 0.80 CYP3A4 (0.40) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL4847168 0.76 CYP3A4 (0.59) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL6020612 0.73 CYP3A4 (0.62) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL29450595 0.73 CYP3A4 (0.71) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL969462 0.72 ALDH1A1 (0.61) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL4294691 0.71 TDP1 (0.46) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL9330651 0.71 CYP3A4 (0.59) TDP1CYP3A4ALDH1A1TP53TAAR1
Benzidine SCHEMBL8836043 0.71 CYP3A4 (0.69) TDP1CYP3A4ALDH1A1TP53TAAR1
SCHEMBL31327474 0.71 CYP3A4 (0.59) TDP1CYP3A4ALDH1A1TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10080774-B2 Oncolytic adenovirus armed with therapeutic genes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-25 US disclosed
US-20150306160-A1 ONCOLYTIC ADENOVIRUS ARMED WITH THERAPEUTIC GENES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-10-29 US disclosed
US-9061055-B2 Oncolytic adenovirus armed with therapeutic genes Board of Regentsm The University of Texas System (US) 2015-06-23 US disclosed
US-20090175830-A1 ONCOLYTIC ADENOVIRUS ARMED WITH THERAPEUTIC GENES FUEYO JUAN 2009-07-09 US disclosed
US-20060147420-A1 Oncolytic adenovirus armed with therapeutic genes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-07-06 US disclosed
WO-2005086922-A2 ONCOLYTIC ADENOVIRUS ARMED WITH THERAPEUTIC GENES BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-22 WO disclosed