SCHEMBL7693395

SCHEMBL7693395

Cc1ccc([N+](=O)[O-])c2nc(Cl)cc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP3A4 P08684 2/20 0.39
PPIA P62937 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL1563574 0.83 MAPT (0.44) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6537530 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7699235 0.73 ALDH1A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18691141 0.72 NQO2 (0.39) ALDH1A1L3MBTL1TDP1MAPTLMNA
SCHEMBL7696376 0.72 NR4A2 (0.40) KMT2AALDH1A1TSHRTDP1LMNA
SCHEMBL17825675 0.72 LMNA (0.38) MEN1KMT2ALMNAHTTCYP3A4
SCHEMBL6537327 0.72 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28191905 0.72 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7693482 0.70 MAPT (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2935911 0.69 MAPT (0.39) ALDH1A1SMN1; SMN2L3MBTL1TDP1MAPT

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
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO disclosed