SCHEMBL1769204

SCHEMBL1769204

O=C(Oc1ccc([N+](=O)[O-])cc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
GAA P10253 1/20 0.54
NAMPT P43490 1/20 0.53
ELANE P08246 1/20 0.53
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
PTPN7 P35236 1/20 0.47
PTPN12 Q05209 1/20 0.47

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
SCHEMBL27474677 0.93 KMT2A (0.71) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL27504484 0.93 KMT2A (0.66) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL11602621 0.92 KMT2A (0.64) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL27750481 0.89 KMT2A (0.51) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL28621572 0.89 KMT2A (0.51) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL10725091 0.85 BCL9 (0.52) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL6771959 0.84 KMT2A (0.54) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL28670395 0.84 GAA (0.56) KMT2ASMN1; SMN2GAABCL9CTNNB1
SCHEMBL25205316 0.84 GAA (0.49) KMT2ATDP1SMN1; SMN2HTTGAA
SCHEMBL9836035 0.84 GAA (0.46) KMT2ATDP1SMN1; SMN2HTTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN claimed
CN-106232582-A Aryl and heteroaryl ether compound as ROR gamma modulators 格兰马克药品股份有限公司 2016-12-14 CN disclosed
CN-102985402-A Tranylcypromine derivatives as inhibitors of histone demethylase LSD1 and/or LSD2 UNIV ROMA 2013-03-20 CN disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 WO disclosed
CN-1161962-A Sulphonic-acid-amide derivative KONO PHARMACEUTICAL IND K K (JP) 1997-10-15 CN disclosed