SCHEMBL7977987

SCHEMBL7977987

N#Cc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MAPK13 O15264 1/20 0.48
GCGR P47871 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7991619 0.90 MEN1 (0.50) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL7991733 0.88 MEN1 (0.50) ALOX5MAPK13GCGRMAPK12MAPK11
Hydrochloric Acid SCHEMBL7988409 0.87 ALOX5 (0.50) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL7991953 0.87 RAB9A (0.52) ALOX5MAPK13GCGRMAPK12MAPK11
SCHEMBL7991917 0.85 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL7977577 0.85 RAB9A (0.47) ALOX5MEN1KMT2ARAB9AALDH1A1
SCHEMBL7977912 0.85 ALDH1A1 (0.54) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL7991779 0.84 AURKA (0.49) ALOX5MEN1KMT2ARAB9AALDH1A1
SCHEMBL7991856 0.83 LMNA (0.55) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL7988204 0.83 ALDH1A1 (0.53) MEN1KMT2ARAB9AALDH1A1NPC1

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