SCHEMBL28054620

SCHEMBL28054620

COc1ccc(-c2nc(C)c3ccccc3n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.65
ABCB1 P08183 8/20 0.64
ABCC1 P33527 5/20 0.64
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ACACA Q13085 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
GUSB P08236 1/20 0.56
PDE10A Q9Y233 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
SCHEMBL25082162 0.89 ABCG2 (0.58) ABCG2ABCB1ABCC1TP53MAPT
SCHEMBL16404287 0.81 CYP1A2 (0.68) ABCG2ABCB1ABCC1TP53MAPT
SCHEMBL28054554 0.81 CYP1A2 (0.74) ABCG2ABCB1TP53MAPTSMN1; SMN2
SCHEMBL24393198 0.80 WHR1 (0.73) ABCG2ABCB1ABCC1MAPTSMN1; SMN2
SCHEMBL19169758 0.80 PDE10A (0.58) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL6001414 0.79 ABCG2 (0.58) ABCG2ABCB1ABCC1TP53MAPT
SCHEMBL19169418 0.79 PDE10A (0.60) ABCG2TP53MAPTSMN1; SMN2L3MBTL1
SCHEMBL422358 0.78 PDE10A (0.61) ABCG2TP53MAPTSMN1; SMN2L3MBTL1
SCHEMBL19169769 0.78 PDE10A (0.57) ABCG2MAPTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL326797 0.78 ABCG2 (0.57) ABCG2ABCB1ABCC1TP53MAPT

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
CN-105327703-B The preparation method of gold nano catalyst and the catalyst prod obtained and application 中国科学技术大学 2017-11-24 CN disclosed
CN-105327703-A Preparation method for gold nanometer catalyst, and obtained catalyst product and application thereof USTC UNIV SCIENCE TECH CN 2016-02-17 CN disclosed