SCHEMBL30385018

SCHEMBL30385018

O=CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
POLB P06746 2/20 0.59
DDX3X O00571 1/20 0.59
HTT P42858 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
BLM P54132 1/20 0.53
ALDH1A1 P00352 6/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
RAB9A P51151 4/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
NPC1 O15118 3/20 0.50
MPI P34949 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
SCHEMBL225469 1.00 MAPT (0.59) MAPTKMT2AMEN1POLBDDX3X
Dinitrophenylene SCHEMBL27410199 0.87 TSHR (0.62) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL14336441 0.83 MAPT (0.55) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL11141517 0.82 KMT2A (0.56) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL24076228 0.81 KMT2A (0.72) MAPTKMT2AMEN1POLBLMNA
SCHEMBL11887661 0.81 MAPT (0.54) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL3956359 0.81 MAPT (0.54) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL3691338 0.80 CYP19A1 (0.50) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL394734 0.80 KMT2A (0.67) MAPTKMT2AMEN1POLBDDX3X
SCHEMBL2053443 0.79 MAPT (0.56) MAPTKMT2AMEN1POLBDDX3X

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-117186074-A Pyridazine-3-carboxamide compounds as TYK2 inhibitors 广州费米子科技有限责任公司 2023-12-08 CN disclosed
CN-111686110-B Compounds and compositions for modulating EGFR mutant kinase activity 株式会社柳韩洋行 2023-06-16 CN disclosed