SCHEMBL7990033

SCHEMBL7990033

CCOc1ccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
GAA P10253 3/20 0.51
MGAM O43451 2/20 0.51
SI P14410 2/20 0.51
MGAM2 Q2M2H8 2/20 0.51
HPGD P15428 3/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HCRTR1 O43613 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL7977728 0.91 MAPT (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7977757 0.90 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7977432 0.90 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991963 0.88 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991396 0.88 KMT2A (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7991730 0.87 MEN1 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7977726 0.87 RAB9A (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7995211 0.86 SMN1; SMN2 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7992106 0.86 RAB9A (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7988260 0.83 MAPT (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed