SCHEMBL8635629

SCHEMBL8635629

Cc1cc(N(C)c2ccc(Cl)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.36
FLT4 P35916 3/20 0.36
KDR P35968 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SLC9A1 P19634 1/20 0.35
LTC4S Q16873 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8635192 0.89 RXRA (0.35) RXRARXRBRXRGKCNJ6KCNJ5
SCHEMBL8635012 0.88 NSD2 (0.36) RXRARXRBRXRGSLC9A1MAPT
SCHEMBL8638285 0.86 PDE4B (0.41) LTC4SMAPT
SCHEMBL8634267 0.86 KEAP1 (0.41) ALDH1A1RXRARXRBRXRGKCNJ6
SCHEMBL8635329 0.86 SLC9A1 (0.35) ALDH1A1RXRARXRBRXRGSLC9A1
SCHEMBL8635732 0.85 KCNJ6 (0.38) KCNJ6KCNJ3LTC4S
SCHEMBL8633950 0.85 SIRT2 (0.35) RXRARXRBRXRGSLC9A1
SCHEMBL8634504 0.85 FLT1 (0.38) FLT1FLT4KDRALDH1A1RXRA
SCHEMBL7766624 0.83 SLC9A1 (0.60) SLC9A1
SCHEMBL8633203 0.81 MEN1 (0.35) KCNJ6KCNJ5KCNJ3SLC9A1POLB

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