SCHEMBL7987915

SCHEMBL7987915

COc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])c(C)c3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PSMD14 O00487 1/20 0.47
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
Hydrochloric Acid SCHEMBL7989537 0.99 KMT2A (0.50) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7988913 0.87 MAPT (0.54) KMT2AMAPTMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL7992063 0.86 MAPT (0.53) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7989928 0.86 MEN1 (0.53) KMT2AMAPTMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL7977757 0.85 MEN1 (0.53) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7990001 0.85 MEN1 (0.52) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7989929 0.82 MAPT (0.58) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7977759 0.81 MEN1 (0.57) KMT2AMAPTMEN1GAAMAPK1
Hydrochloric Acid SCHEMBL7992208 0.81 MEN1 (0.57) KMT2AMAPTMEN1GAAMAPK1
SCHEMBL7989571 0.81 MAPK1 (0.56) KMT2AMAPTMEN1GAAMAPK1

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