SCHEMBL20401190

SCHEMBL20401190

N#Cc1ccc(OC(=O)NCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MGLL Q99685 2/20 0.48
FFAR4 Q5NUL3 1/20 0.45
FAAH O00519 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
NAAA Q02083 2/20 0.40
ASAH1 Q13510 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CTSC P53634 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
SCHEMBL3279486 0.79 MGLL (0.59) MGLLFAAHNPC1RAB9AMAOA
SCHEMBL15881350 0.79 NPC1 (0.60) MGLLFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL21237811 0.78 ALDH1A1 (0.49) FFAR4NPC1RAB9ASMN1; SMN2PTGDR2
SCHEMBL27601834 0.76 MGLL (0.56) MGLLFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL4748097 0.73 RAB9A (0.66) FAAHNPC1RAB9A
SCHEMBL250728 0.73 MAOA (0.53) NPC1RAB9AHRH3MAOAKCNH2
SCHEMBL22680616 0.73 MAOA (0.53) NPC1RAB9AHRH3MAOAKCNH2
SCHEMBL4435567 0.73 TAAR1 (0.50) HTR2CHTR2BFFAR4FAAHNPC1
SCHEMBL12072841 0.73 HTR2C (0.53) HTR2CHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL28104032 0.72 HDAC8 (0.56) FAAHNPC1RAB9ASMN1; SMN2

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-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed