SCHEMBL310577

SCHEMBL310577

COc1cc(-c2cc(-c3ccc(N)c(OC)c3)cc(-c3ccc(N)c(OC)c3)c2)ccc1N

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.91
TDP1 Q9NUW8 4/20 0.91
CYP3A4 P08684 3/20 0.91
HSD17B10 Q99714 2/20 0.91
TSHR P16473 2/20 0.91
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.50
APP P05067 2/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
CHEK1 O14757 6/20 0.47
GAA P10253 1/20 0.43

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
SCHEMBL29764044 1.00 ALDH1A1 (0.91) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL29399235 0.95 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10TSHR
SCHEMBL48945 0.95 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Ammonia Solution, Strong SCHEMBL2259240 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Methane SCHEMBL28975440 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL622811 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL30913021 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL29494721 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL30053031 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL3947578 0.93 ALDH1A1 (0.95) ALDH1A1TDP1CYP3A4HSD17B10TSHR

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-20230027931-A1 THERMOPLASTIC MOULDING COMPOSITION CONTAINING POLYALKYLENE TEREPHTHALATE BASF SE (DE) 2023-01-26 US disclosed
EP-2714806-B1 THERMOPLASTIC MOULDING MATERIAL BASF SE (DE) 2015-07-08 EP disclosed
US-8987357-B2 Thermoplastic molding composition BASF SE (DE) 2015-03-24 US disclosed
US-20120302677-A1 THERMOPLASTIC MOLDING COMPOSITION BASF SE (DE) 2012-11-29 US 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