SCHEMBL7991730

SCHEMBL7991730

COc1cccc(-c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2C(=O)Nc2nccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
MGAM O43451 2/20 0.56
GAA P10253 2/20 0.56
SI P14410 2/20 0.56
MGAM2 Q2M2H8 2/20 0.56
TP53 P04637 1/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HCRTR1 O43613 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL7988812 0.93 MAPT (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7991797 0.93 MAPT (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7977757 0.92 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7990033 0.87 MAPT (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7989469 0.86 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7988543 0.85 KMT2A (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7991849 0.85 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7991963 0.85 MAPT (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7991396 0.85 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7988593 0.85 MAPK1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; 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