SCHEMBL23715411

SCHEMBL23715411

COC(C)Oc1ccc([N+](=O)[O-])c2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 13/20 0.56
ALDH1A1 P00352 9/20 0.56
CTSB P07858 4/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 1/20 0.56
BRD4 O60885 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ALOX12 P18054 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR2C P28335 1/20 0.56

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
SCHEMBL23698655 0.86 MAPT (0.53) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9976072 0.86 MEN1 (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL23698676 0.85 MAPT (0.52) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL28449760 0.85 MAPT (0.57) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL23698675 0.84 MAPT (0.51) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL21816835 0.84 MAPT (0.51) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL23698748 0.83 MAPT (0.50) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL23698730 0.81 MAPT (0.50) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL23715389 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL21816861 0.81 JMJD7 (0.51) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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-3858814-A1 NITROXOLINE PRODRUG AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2021-08-04 EP disclosed