SCHEMBL30236

SCHEMBL30236

COc1cc(Nc2cc(Nc3ccc(N)c(OC)c3)cc(Nc3ccc(N)c(OC)c3)c2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 1/20 0.46
MAPT P10636 4/20 0.45
APP P05067 3/20 0.44
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
NR4A1 P22736 1/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29763986 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29837453 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL1639956 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3796082 0.87 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30828591 0.84 RAD52 (0.52) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL1979959 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL8211026 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL11087037 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL14036718 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL600664 0.79 EGFR (0.45) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027931-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2023-01-26 US disclosed
US-8987357-B2 Thermoplastic molding composition BASF SE (DE) 2015-03-24 US disclosed
US-20140045070-A1 ELECTROCHEMICAL CELLS COMPRISING POLYIMIDES BASF SE (DE) 2014-02-13 US disclosed
EP-2609646-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2013-07-03 EP disclosed
US-20120302677-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-11-29 US disclosed
WO-2012025543-A1 ELECTROLYTE MATERIALS FOR USE IN ELECTROCHEMICAL CELLS BASF SE (DE) 2012-03-01 WO disclosed
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed