SCHEMBL9999559

SCHEMBL9999559

NCOc1cccc2nc3ccccc3nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.59
MAPT P10636 7/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 3/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP6 P55212 1/20 0.45
NPC1 O15118 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL28341092 0.85 NQO2 (0.53) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL3724125 0.81 NQO2 (0.59) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL23181356 0.79 NQO2 (0.56) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL8740325 0.79 NQO2 (0.61) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL2291623 0.78 NQO2 (0.70) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL18387381 0.77 NQO2 (0.54) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL12377711 0.76 NQO2 (0.62) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL1513023 0.75 NQO2 (1.00) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL182949 0.75 NQO2 (0.66) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL8009034 0.74 CYP1A2 (0.59) NQO2MAPTRAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112118828-A Systems and methods for gel-based neuromodulation 图拉维治疗股份有限公司 2020-12-22 CN disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed