SCHEMBL8634504

SCHEMBL8634504

CCc1cc(N(C)c2ccc(Cl)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 1/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
RXRA P19793 1/20 0.33
NR4A2 P43354 1/20 0.33
ADRA1D P25100 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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
SCHEMBL8636231 0.89 MCL1 (0.33) KMT2AALOX15RXRAPSEN1PSEN2
SCHEMBL8635203 0.89 HSP90AA1 (0.35) MEN1KMT2ALMNAALDH1A1
SCHEMBL8633117 0.87 PDE4B (0.40) FLT1FLT4KDRMEN1KMT2A
SCHEMBL8632126 0.87 TUBB4A (0.37) MEN1KMT2AHPGDLMNAALDH1A1
SCHEMBL8635757 0.87 SMN1; SMN2 (0.31) CYP3A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL8634221 0.86 SIRT2 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8635629 0.85 FLT1 (0.36) FLT1FLT4KDRRXRAMAPT
SCHEMBL7761380 0.84 SLC9A1 (0.45)
SCHEMBL8634234 0.83 MEN1 (0.36) MEN1KMT2AHSD17B10RORC
SCHEMBL8635349 0.81 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTTSHR

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