SCHEMBL28455708

SCHEMBL28455708

Cc1cccc([CH]c2ccc[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDPK1 O15530 2/20 0.40
RET P07949 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
ALOX5 P09917 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL3302772 0.77 TP53 (0.65) TP53TDP1NPC1CASP3SENP8
SCHEMBL2464276 0.76 MAPT (0.44) MAPTGAAALDH1A1HSD17B10PDPK1
SCHEMBL27704551 0.74 TP53 (0.43) TP53TDP1NPC1CASP3SENP8
SCHEMBL6704634 0.74 PDPK1 (0.44) PDPK1FBP1
SCHEMBL559603 0.72 GRIN2D (0.45) MAPTKDM4EGAAALDH1A1POLB
SCHEMBL3298140 0.71 TP53 (0.58) TP53TDP1NPC1CASP3SENP8
SCHEMBL18240768 0.70 TP53 (0.56) TP53TDP1NPC1CASP3SENP8
SCHEMBL2357901 0.70 TP53 (0.56) TP53TDP1NPC1CASP3SENP8
SCHEMBL21847980 0.68 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8
SCHEMBL1795132 0.68 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111556872-A Synthesis of boronic ester derivatives and uses thereof 梅琳塔治疗公司 2020-08-18 CN disclosed