SCHEMBL27190075

SCHEMBL27190075

O=C(O)[C@@H]1CCCN1c1ccnc2c(O)c([N+](=O)[O-])ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 10/20 0.47
HTT P42858 4/20 0.45
MITF O75030 1/20 0.45
KDM4E B2RXH2 7/20 0.42
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CTSB P07858 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
SERPINE1 P05121 1/20 0.40

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
SCHEMBL24716147 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL30792565 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL30792563 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL30626608 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL24716140 0.82 MAPT (0.47) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL24715761 0.78 MAPT (0.70) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL11055247 0.74 SMN1; SMN2 (1.00) SMN1; SMN2MAPTL3MBTL1POLBALDH1A1
SCHEMBL9285207 0.74 MEN1 (0.62) SMN1; SMN2MAPTHTTPOLBRECQL
SCHEMBL24716141 0.73 MAPT (0.55) SMN1; SMN2MAPTHTTMITFKDM4E
SCHEMBL7978483 0.73 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKDM4EALDH1A1MEN1

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
EP-4349815-A1 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2024-04-10 EP disclosed