SCHEMBL7032029

SCHEMBL7032029

Cc1ccc(NC(=O)[C@@H](N)Cc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PTPRA P18433 1/20 0.44
KDR P35968 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 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
SCHEMBL6290284 0.87 NPC1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6247750 0.83 PTPRA (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL6247756 0.83 PTPRA (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7897236 0.82 PTPRA (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL28915552 0.82 PTPRA (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8389822 0.82 PTPRA (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL21768281 0.79 RAB9A (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21768282 0.79 RAB9A (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29002157 0.79 MAPK1 (0.63) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL28085745 0.79 MAPK1 (0.63) NPC1RAB9AALDH1A1KMT2AMEN1

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
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP disclosed