SCHEMBL11261545

SCHEMBL11261545

C=CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
MAPT P10636 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
GPR35 Q9HC97 1/20 0.42
KAT2B Q92831 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 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
SCHEMBL16737185 0.85 HCAR3 (0.53) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL5659639 0.81 HCAR3 (0.44) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL1344661 0.81 HCAR3 (0.58) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL8812743 0.80 HCAR3 (0.51) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL3673595 0.79 TDP1 (0.48) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8088325 0.79 MAPT (0.44) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL2946229 0.77 CHRM2 (0.65) HCAR3MAPTMEN1KMT2AALDH1A1
SCHEMBL11900601 0.77 MAPT (0.42) HCAR3MAPTMEN1KMT2AL3MBTL1
SCHEMBL3666821 0.76 GPR35 (0.48) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11273856 0.76 MEN1 (0.51) HCAR3MAPTMEN1KMT2AL3MBTL1

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
US-4328369-A Process for the production of 2,6-dinitro-N-alkyl-anilines RUMIANCA S.P.A. (IT) 1982-05-04 US claimed
US-4328369-A Process for the production of 2,6-dinitro-N-alkyl-anilines RUMIANCA S.P.A. (IT) 1982-05-04 US disclosed
US-4328369-A Process for the production of 2,6-dinitro-N-alkyl-anilines RUMIANCA S.P.A. (IT) 1982-05-04 US disclosed
US-4328369-A Process for the production of 2,6-dinitro-N-alkyl-anilines RUMIANCA S.P.A. (IT) 1982-05-04 US disclosed
US-3927127-A Nitration process RHONE POULENC NEDERLANDS B.V. (NL) 1975-12-16 US disclosed