SCHEMBL8635911

SCHEMBL8635911

CCc1cc(Nc2ccccn2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.47
JAK1 P23458 8/20 0.47
JAK2 O60674 6/20 0.47
KCNH2 Q12809 2/20 0.47
KIT P10721 1/20 0.47
JAK3 P52333 2/20 0.42
MEN1 O00255 1/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8634805 0.86 TYK2 (0.48) TYK2JAK1JAK2KCNH2KIT
SCHEMBL8634357 0.86 TYK2 (0.34) TYK2JAK1JAK2KCNH2KIT
SCHEMBL7764917 0.84 SLC9A1 (0.44)
SCHEMBL8635140 0.82 BCAT2 (0.42) MEN1GFERKMT2A
SCHEMBL8634502 0.80 PTGS1 (0.38) KMT2ATSHRMAPK1RAB9ASMN1; SMN2
SCHEMBL8634536 0.80 CXCL8 (0.43) TYK2JAK1JAK2MEN1KMT2A
SCHEMBL8635172 0.79 CXCL8 (0.42) TYK2JAK1JAK2KCNH2KIT
SCHEMBL8635462 0.79 PDE4B (0.41) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL8630815 0.78 ACP1 (0.40) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL8636186 0.77 AKR1C3 (0.44) MEN1KMT2ANPC1TSHRMAPK1

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
CN-1057999-C 4-Aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed