SCHEMBL7992126

SCHEMBL7992126

CCCCNc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(OCC)cc3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PSMD14 O00487 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
ADORA2A P29274 3/20 0.43
CYP2C9 P11712 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
SCHEMBL7989590 0.93 MAPT (0.53) NPC1RAB9ASMN1; SMN2PKMMEN1
Hydrochloric Acid SCHEMBL7977698 0.92 MAPT (0.53) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL7991501 0.91 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7988807 0.91 ADORA2A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7988904 0.90 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7992014 0.89 RAB9A (0.50) NPC1RAB9ASMN1; SMN2PKMCDK5
SCHEMBL7992215 0.88 MAPT (0.55) NPC1RAB9ASMN1; SMN2PKMMEN1
Hydrochloric Acid SCHEMBL7988824 0.87 MAPT (0.54) NPC1RAB9ASMN1; SMN2PKMMEN1
SCHEMBL7977611 0.87 MAPK1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7977809 0.86 RAB9A (0.51) NPC1RAB9ASMN1; SMN2PKMCDK5

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