SCHEMBL24716147

SCHEMBL24716147

COC(=O)C1CCCN1c1ccnc2c(O)c([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 9/20 0.42
HTT P42858 3/20 0.42
MITF O75030 1/20 0.42
CTSB P07858 7/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TNNI3 P19429 1/20 0.38

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
SCHEMBL30792563 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL30626608 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL30792565 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL27190075 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL24716140 0.82 MAPT (0.47) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL28493144 0.79 AR (0.55) SMN1; SMN2MAPTCTSB
SCHEMBL24715761 0.76 MAPT (0.70) SMN1; SMN2MAPTHTTMITFCTSB
SCHEMBL696233 0.76 MAPT (0.51) SMN1; SMN2MAPTHTTTDP1L3MBTL1
SCHEMBL11477630 0.75 MAPT (0.42) SMN1; SMN2MAPTHTTPOLBRECQL
SCHEMBL11477620 0.74 MAPT (0.42) SMN1; SMN2MAPTHTTPOLBRECQL

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
WO-2022253152-A1 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2022-12-08 WO disclosed