SCHEMBL31229543

SCHEMBL31229543

O=C(O)Cc1ccc2nn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 6/20 0.44
TSHR P16473 3/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 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
SCHEMBL10102945 1.00 KDM4E (0.49) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL118587 0.87 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL10304686 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDNFKB1LMNA
SCHEMBL10102949 0.79 SMN1; SMN2 (0.45) ALDH1A1MAPTHSD17B10NFKB1LMNA
Phenylacetic Acid SCHEMBL27559287 0.79 AKR1B1 (0.55) ALDH1A1MAPTHPGDHSD17B10MEN1
Benzotriazole SCHEMBL11629545 0.76 MAPT (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL24214987 0.75 RAD52 (0.30)
SCHEMBL12686295 0.75 GAA (0.42) GAA
SCHEMBL318089 0.75 KIF11 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL18671255 0.75 CYP3A4 (0.46) KDM4EALDH1A1HSD17B10MEN1KMT2A

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-118931473-A Modified polyimide binder, preparation method thereof, electrode plate and lithium ion battery 东莞东阳光科研发有限公司 2024-11-12 CN claimed
CN-118931473-A Modified polyimide binder, preparation method thereof, electrode plate and lithium ion battery 东莞东阳光科研发有限公司 2024-11-12 CN disclosed