SCHEMBL8634301

SCHEMBL8634301

Cc1cc(Nc2ncccn2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TYK2 P29597 2/20 0.35
KCNH2 Q12809 2/20 0.35
KIT P10721 1/20 0.35
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34

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 0.85 TYK2 (0.48) ALDH1A1HPGDRAB9ASMN1; SMN2JAK2
SCHEMBL8634357 0.85 TYK2 (0.34) JAK2JAK1TYK2KCNH2KIT
SCHEMBL7761310 0.82 SLC9A1 (0.62) SLC9A1
SCHEMBL8632612 0.81 SMN1; SMN2 (0.39) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8635344 0.81 KMT2A (0.36) SLC9A1ALDH1A1TYK2
SCHEMBL8635463 0.80 AKR1C3 (0.45) ALDH1A1
SCHEMBL8633035 0.79 FDPS (0.33) SLC9A1
SCHEMBL8635848 0.79 CYP11B2 (0.46) ALDH1A1
SCHEMBL8636232 0.78 PTGS2 (0.40) ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8631388 0.77 GAA (0.40) ALDH1A1SMN1; SMN2JAK2JAK1TYK2

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
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed