SCHEMBL7995060

SCHEMBL7995060

CNc1cccc(-c2nc(C(=O)Nc3nncs3)c(-c3ccc(OC)cc3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.40
FYN P06241 1/20 0.40
MAPK1 P28482 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CDC25C P30307 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL7992142 0.90 RAB9A (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL7977897 0.89 RAB9A (0.46) COMTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7978021 0.88 SMN1; SMN2 (0.43) COMTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7991985 0.88 SMN1; SMN2 (0.46) COMTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7995546 0.86 MAPK1 (0.55) COMTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7989018 0.85 MAPT (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL7988044 0.83 NPC1 (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL7989576 0.82 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL7988275 0.80 MAPT (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL7991835 0.80 RAB9A (0.50) COMTSMN1; SMN2NPC1RAB9AMAPT

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