SCHEMBL28286502

SCHEMBL28286502

O=[N+]([O-])c1cccc2nc(Br)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.52
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NOS1 P29475 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6272457 0.79 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL3955324 0.79 ALDH1A1 (1.00) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL28044640 0.79 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL1200287 0.79 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL4818048 0.79 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL28252545 0.79 ALDH1A1 (0.66) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL483953 0.79 CTSB (0.50) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL4819932 0.79 ALDH1A1 (0.60) ALDH1A1POLBTDP1NCOA1NCOA3
SCHEMBL4822352 0.79 ALDH1A1 (0.65) ALDH1A1POLBTDP1MAPTSMN1; SMN2
SCHEMBL27795495 0.78 ALDH1A1 (0.64) ALDH1A1POLBTDP1NCOA1NCOA3

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-118451078-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2024-08-06 CN disclosed
CN-109535069-B Diamine monomer and preparation method thereof, and polyimide and preparation method thereof 吉林大学 2020-05-08 CN disclosed
CN-109535069-A A kind of diamine monomer and preparation method thereof and polyimides and preparation method thereof 吉林大学 2019-03-29 CN disclosed