SCHEMBL28599146

SCHEMBL28599146

COc1ccc(-n2cnc3cc(NCc4ccc(C(F)(F)F)cc4)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
ALDH1A1 P00352 9/20 0.66
KDM4E B2RXH2 8/20 0.66
HPGD P15428 8/20 0.66
NPC1 O15118 6/20 0.66
TDP1 Q9NUW8 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
LMNA P02545 3/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
RAB9A P51151 6/20 0.65
GAA P10253 4/20 0.64
SMN1; SMN2 Q16637 5/20 0.63
KIT P10721 2/20 0.59
FLT3 P36888 2/20 0.59
HTT P42858 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL770038 0.92 MAPT (0.72) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL770399 0.92 MAPT (0.64) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769828 0.88 KDM4E (0.67) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769865 0.88 MAPT (0.69) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769649 0.88 KDM4E (0.67) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769548 0.88 MAPT (0.64) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL770393 0.87 MAPT (0.66) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769848 0.87 MAPT (0.69) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL770591 0.87 MAPT (0.66) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL769090 0.87 KIT (0.77) MAPTALDH1A1KDM4EHPGDNPC1

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-113234022-A Benzimidazole derivative and synthesis method and application thereof 中国人民解放军军事科学院军事医学研究院军事认知与脑科学研究所 2021-08-10 CN claimed
CN-113234022-A Benzimidazole derivative and synthesis method and application thereof 中国人民解放军军事科学院军事医学研究院军事认知与脑科学研究所 2021-08-10 CN disclosed
CN-113234022-A Benzimidazole derivative and synthesis method and application thereof 中国人民解放军军事科学院军事医学研究院军事认知与脑科学研究所 2021-08-10 CN disclosed