SCHEMBL28858385

SCHEMBL28858385

O=CNc1ccc(N=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.50
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM5A P29375 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL11537315 0.84 PABPC1 (0.64) PABPC1ALDH1A1TSHRKDM4EMAPT
SCHEMBL1275295 0.77 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL15453221 0.75 PABPC1 (0.59) PABPC1ALDH1A1TSHRKDM4ENPC1
SCHEMBL29506423 0.75 PABPC1 (0.59) PABPC1ALDH1A1TSHRKDM4ENPC1
SCHEMBL8966295 0.74 TDP1 (0.59) ALDH1A1TSHRKDM4EMAPTNPSR1
SCHEMBL14855633 0.73 PABPC1 (0.53) PABPC1ALDH1A1TSHRKDM4ENPC1
SCHEMBL8967636 0.73 PABPC1 (0.53) PABPC1ALDH1A1TSHRNPC1RAB9A
SCHEMBL14384429 0.73 IDO1 (0.57) PABPC1
SCHEMBL21186261 0.73 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL13611705 0.72 PABPC1 (0.51) PABPC1ALDH1A1TSHR

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-107915689-A The preparation method of the western Nader of thunder 赵田田 2018-04-17 CN claimed
CN-107915689-A The preparation method of the western Nader of thunder 赵田田 2018-04-17 CN disclosed