SCHEMBL8860019

SCHEMBL8860019

NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NR1I2 O75469 1/20 0.54
AHR P35869 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.50
LTA4H P09960 1/20 0.49
MAPT P10636 3/20 0.47
NPY5R Q15761 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.44
ALPL P05186 1/20 0.44
MAP4K4 O95819 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
SCHEMBL1413913 0.85 NPC1 (0.55) MKNK1MKNK2NPC1RAB9ANR1I2
SCHEMBL30683712 0.83 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2NPY5RKMT2A
SCHEMBL12906820 0.83 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTNPY5R
SCHEMBL28775719 0.80 SMN1; SMN2 (0.39) MKNK1MKNK2NPC1RAB9ANR1I2
SCHEMBL4557695 0.80 DYRK1A (0.60) NPC1RAB9ASMN1; SMN2MAPTNPY5R
SCHEMBL8369776 0.80 NPC1 (0.57) MKNK1MKNK2NPC1RAB9ANR1I2
SCHEMBL30683705 0.78 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL27386699 0.78 IKBKB (0.47) MAP4K4
SCHEMBL5016810 0.76 NPSR1 (0.63) NPC1RAB9ANR1I2AHRSMN1; SMN2
SCHEMBL7858380 0.75 RAB9A (0.49) MKNK1MKNK2NPC1RAB9ANR1I2

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
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO disclosed