SCHEMBL8440919

SCHEMBL8440919

Nc1ccc(Nc2ccc(N)cc2)cc1.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
ALDH1A1 P00352 5/20 0.74
L3MBTL1 Q9Y468 4/20 0.74
ALOX12 P18054 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
HTT P42858 1/20 0.74
RAD52 P43351 1/20 0.67
NR4A1 P22736 1/20 0.61
HSD17B10 Q99714 3/20 0.54
ALOX15 P16050 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TP53 P04637 2/20 0.54
APP P05067 1/20 0.54
HPGD P15428 1/20 0.54
SNCA P37840 1/20 0.54
BLM P54132 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL12747008 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL5428343 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL5438258 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL29479572 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL18289620 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL33864 0.97 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL1459001 0.93 MAPT (0.74) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL9518383 0.88 MAPT (0.67) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL6301188 0.88 MAPT (0.67) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL351125 0.88 MAPT (0.67) MAPTALDH1A1L3MBTL1ALOX12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889103-A CONSISTS OF A POLYMER OF QUINONE OR DERIVATIVES, A WATER SOLUBLE POLYMER, AN INORGANIC COLLOID AND AN ALKALI METAL SILICATE; USED AS ANTISCALING AGENT IN POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS IN ALKALINE SOLUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-30 US disclosed
US-5691428-A Process for producing a polymer using a quinone compound condensation product polymer scale preventive agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-11-25 US disclosed