SCHEMBL28252530

SCHEMBL28252530

CNc1c([N+](=O)[O-])c(S)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 2/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 1/20 0.44
KDM1A O60341 2/20 0.42
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL28473510 0.82 KMT2A (0.47) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL842415 0.82 KMT2A (0.47) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL28252522 0.78 GPR35 (0.39) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL28013532 0.77 S100A4 (0.54) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL27879879 0.77 MAOA (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL27916436 0.77 KMT2A (0.43) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL28251944 0.77 KDM4E (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8565807 0.74 KDM4E (0.44) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL20291524 0.71 CYP3A4 (0.61) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL5410460 0.71 KDM1A (0.66) KMT2AMAPTSMN1; SMN2KDM4EGLA

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-108794467-A 2-amino-quinoline derivatives 博笛生物科技有限公司 2018-11-13 CN disclosed