SCHEMBL28385691

SCHEMBL28385691

N#Cc1c(N)[nH]c2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP20 Q9Y2K6 1/20 0.51
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
NSD2 O96028 3/20 0.45
AS3MT Q9HBK9 3/20 0.45
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
PFKFB1 P16118 3/20 0.40
PFKFB2 O60825 2/20 0.39
PFKFB3 Q16875 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 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
SCHEMBL23885530 0.79 USP20 (0.51) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL23885700 0.79 USP20 (0.66) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL30053023 0.79 USP20 (0.51) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL23885618 0.79 USP20 (0.51) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL28385395 0.79 USP20 (0.51) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL23885743 0.76 KIF11 (0.55) USP20PLA2G1BATG4BPRKACAPRKACG
SCHEMBL30051948 0.76 KIF11 (0.55) USP20PLA2G1BATG4BPRKACAPRKACG
SCHEMBL30254651 0.76 NSD2 (0.48) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL23885417 0.76 NSD2 (0.48) USP20PLA2G1BATG4BNSD2AS3MT
SCHEMBL5857090 0.75 PLA2G1B (0.77) USP20PLA2G1BATG4BNSD2AS3MT

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-108689907-B Method for preparing 2-nitroindole derivative 苏州大学 2020-05-01 CN disclosed