SCHEMBL6522071

SCHEMBL6522071

O=C(O)c1ccn(C(=O)Nc2cccc(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RECQL P46063 1/20 0.51
P4HTM Q9NXG6 1/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 2/20 0.50
RIPK1 Q13546 1/20 0.49
GRM4 Q14833 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL21883515 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL32665823 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL6003843 0.76 ELANE (0.52) RAB9ASMN1; SMN2POLBKMT2AHTT
SCHEMBL21883132 0.74 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL32665830 0.74 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL6178671 0.73 KMT2A (0.62) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL31432059 0.73 GRM4 (0.66) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL31587999 0.71 POLB (0.58) POLBKMT2AMEN1ALDH1A1RECQL
SCHEMBL1884170 0.70 MEN1 (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL24221999 0.70 POLB (0.55) NPC1RAB9ASMN1; SMN2POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO disclosed