SCHEMBL29185296

SCHEMBL29185296

O=Cc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.53
PARP1 P09874 1/20 0.51
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 2/20 0.41
DNA2 P51530 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL3005567 0.82 CHUK (0.45) FBP1MAPTNPC1L3MBTL1TDP1
SCHEMBL29954778 0.77 KDM4E (0.51) PARP1MAPTTDP1
SCHEMBL15330894 0.76 CNR1 (0.43) FBP1PARP1MAPTNPC1MAPK1
SCHEMBL15332615 0.76 MGAM (0.45) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL15330730 0.75 CNR1 (0.46) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL15330507 0.75 TNKS (0.47) PARP1MAPTALDH1A1
SCHEMBL30182889 0.75 FBP1 (0.36) FBP1TDP1ALDH1A1CNR1
SCHEMBL15331586 0.74 ALDH1A1 (0.48) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL15332461 0.73 MAPT (0.45) MAPTNPC1TDP1ALDH1A1CNR1
SCHEMBL15333187 0.73 MAPT (0.47) MAPTNPC1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed