SCHEMBL14019178

SCHEMBL14019178

Cn1nc(C(=O)Nc2cc(C(=O)O)n(C)n2)cc1NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
PTGER1 P34995 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAP3K5 Q99683 1/20 0.41
MAPT P10636 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL14019177 0.92 SMN1; SMN2 (0.51) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL4759799 0.88 SMN1; SMN2 (0.56) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL14019190 0.87 SMN1; SMN2 (0.56) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL4759503 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL14108669 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL8111687 0.83 SMN1; SMN2 (0.54) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL14019193 0.80 SMN1; SMN2 (0.41) SMN1; SMN2PTGER1KDM4EMAP3K5
SCHEMBL27415197 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9APOLBMAPT
SCHEMBL1267682 0.79 SMN1; SMN2 (0.57) SMN1; SMN2PTGER1NPC1RAB9APOLB
SCHEMBL14019185 0.78 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed