SCHEMBL8633057

SCHEMBL8633057

CCc1cc(Nc2ccccc2C#N)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
LMNA P02545 3/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PLA2G7 Q13093 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHR1 P34998 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
SCHEMBL8633215 0.86 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAALMNATAS2R14
SCHEMBL27369277 0.85 SCN1A (0.39) L3MBTL1TSHRALDH1A1LMNAPOLB
SCHEMBL7764007 0.84 SLC9A1 (0.43)
SCHEMBL8634536 0.84 CXCL8 (0.43) ALDH1A1GAALMNAKDM4EHPGD
SCHEMBL8635172 0.83 CXCL8 (0.42) TSHRALDH1A1GAALMNAALOX15
SCHEMBL8635140 0.81 BCAT2 (0.42) L3MBTL1ALDH1A1GAAKDM4EHPGD
SCHEMBL8636186 0.81 AKR1C3 (0.44) L3MBTL1TSHRALDH1A1LMNAKDM4E
SCHEMBL8635360 0.81 TBXA2R (0.41) ALDH1A1LMNAPOLB
SCHEMBL8632351 0.81 PDE4B (0.41) ALDH1A1LMNAPDK1PDK2PDK3
SCHEMBL8633397 0.80 AKR1C3 (0.43) TSHRALDH1A1GAALMNATAS2R14

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