SCHEMBL28779387

SCHEMBL28779387

Cc1ccc([N+](=O)[O-])c2cn(C(=O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TSHR P16473 2/20 0.41
CTSB P07858 2/20 0.40
CTSH P09668 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP6 P55212 2/20 0.38
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL3603743 0.82 MEN1 (0.42) SMN1; SMN2MEN1KMT2ATSHRCTSB
SCHEMBL1559362 0.73 L3MBTL1 (0.40) MEN1KMT2ATSHRL3MBTL1MAPT
SCHEMBL7604837 0.68 TSHR (0.43) SMN1; SMN2MEN1KMT2ATSHRCTSB
SCHEMBL14858547 0.67 PKM (0.40) L3MBTL1MAPTNPC1RAB9AALDH1A1
SCHEMBL17837151 0.67 CYP2C9 (0.42) SMN1; SMN2MEN1KMT2ATSHRL3MBTL1
SCHEMBL17396095 0.67 MAPT (0.45) SMN1; SMN2MEN1KMT2ACTSBCTSH
SCHEMBL2246159 0.65 KMT2A (1.00) SMN1; SMN2MEN1KMT2ACTSBL3MBTL1
SCHEMBL28191905 0.64 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ACTSBCTSH
SCHEMBL14599185 0.63 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ATSHRCTSB
SCHEMBL2608494 0.63 GSTP1 (0.61) SMN1; SMN2MEN1KMT2AL3MBTL1CASP6

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-101553492-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-10-07 CN disclosed