SCHEMBL29093452

SCHEMBL29093452

O=[N+]([O-])c1cccc(Cn2c3ccccc3c3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
P2RX4 Q99571 1/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NOX4 Q9NPH5 1/20 0.57
HPGD P15428 3/20 0.56
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
CYP19A1 P11511 1/20 0.54
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.51
CCR2 P41597 1/20 0.51
HSPD1 P10809 1/20 0.50
HSPE1 P61604 1/20 0.50
CFTR P13569 1/20 0.50

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
SCHEMBL30616061 1.00 KMT2A (0.69) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL8387092 0.90 KMT2A (0.58) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL8387035 0.86 KMT2A (0.54) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL8802144 0.86 KMT2A (0.54) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL1149940 0.85 KMT2A (0.70) KMT2AP2RX4MEN1LMNAMAPT
SCHEMBL5309769 0.84 KMT2A (0.61) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL19896366 0.83 NOX4 (0.56) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8388468 0.83 MAPT (0.57) KMT2AP2RX4MEN1ALDH1A1LMNA
SCHEMBL8387038 0.83 KMT2A (0.54) KMT2AP2RX4MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL19896382 0.82 NOX4 (0.55) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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-116874409-A Green debenzylation method by photocatalytic molecular oxygen oxidation 大连理工大学 2023-10-13 CN disclosed