SCHEMBL7977574

SCHEMBL7977574

CCOc1ccc(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
AURKA O14965 4/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 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
POLB P06746 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
SCHEMBL7992106 0.91 RAB9A (0.50) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7989229 0.91 MEN1 (0.56) NPC1RAB9ASMN1; SMN2PKMAURKA
SCHEMBL7977809 0.89 RAB9A (0.51) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7992014 0.88 RAB9A (0.50) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7989403 0.88 AURKA (0.51) NPC1RAB9ASMN1; SMN2AURKAMEN1
SCHEMBL7991819 0.87 MEN1 (0.52) NPC1RAB9ASMN1; SMN2AURKAMEN1
SCHEMBL7991779 0.87 AURKA (0.49) NPC1RAB9ASMN1; SMN2AURKAMEN1
SCHEMBL7977728 0.86 MAPT (0.51) NPC1RAB9ASMN1; SMN2PKMCDK5
Hydrochloric Acid SCHEMBL7977432 0.85 MAPT (0.50) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7991768 0.85 MEN1 (0.56) NPC1RAB9ASMN1; SMN2PKMAURKA

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