SCHEMBL8635360

SCHEMBL8635360

CCc1cc(Nc2ccc(C#N)cc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.41
MCL1 Q07820 1/20 0.36
MERTK Q12866 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM1A O60341 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
SMARCA2 P51531 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8632351 0.88 PDE4B (0.41) TBXA2RMCL1LMNACYP11B1CYP11B2
SCHEMBL8636256 0.86 TBXA2R (0.44) TBXA2RMCL1MERTKALDH1A1
SCHEMBL8633969 0.86 CNR2 (0.43) LMNAPOLB
SCHEMBL8635300 0.85 HTT (0.38) TBXA2RALDH1A1
SCHEMBL8635140 0.84 BCAT2 (0.42) POLBALDH1A1
SCHEMBL27368430 0.84 VNN1 (0.42)
SCHEMBL7764854 0.84 SLC9A1 (0.44)
SCHEMBL8634230 0.83 AKR1C3 (0.45) LMNAPOLBALDH1A1
SCHEMBL8634502 0.82 PTGS1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL7764117 0.82 AKR1C3 (0.42) MCL1LMNA

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