SCHEMBL30242516

SCHEMBL30242516

CC(C)(C)c1cc(N)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
GPR35 Q9HC97 2/20 0.46
CYP3A4 P08684 4/20 0.42
TSHR P16473 4/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 5/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL28980351 1.00 ALDH1A1 (0.69) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL11870893 0.90 ALDH1A1 (0.55) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL15828729 0.85 POLB (0.55) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL1530696 0.84 ALDH1A1 (0.58) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL11211170 0.82 ALDH1A1 (0.51) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL5732555 0.82 GPR35 (0.61) ALDH1A1GPR35CYP3A4TDP1MEN1
SCHEMBL11185392 0.82 GPR35 (0.51) ALDH1A1GPR35CYP3A4POLBTDP1
SCHEMBL15828730 0.82 ALDH1A1 (0.51) ALDH1A1GPR35CYP3A4TSHRPOLB
SCHEMBL2415016 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRPOLBTDP1
SCHEMBL10774635 0.81 POLB (0.51) ALDH1A1GPR35CYP3A4TSHRPOLB

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-115927097-B Bacillus bailii FC02, microbial inoculum, preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2024-06-18 CN disclosed
CN-115927097-A Bacillus belgii FC02, microbial inoculum and preparation method and application thereof 中国农业科学院烟草研究所(中国烟草总公司青州烟草研究所) 2023-04-07 CN disclosed