SCHEMBL8635757

SCHEMBL8635757

CCc1cc(N(C)c2ccncc2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
CDC7 O00311 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAF1 P04049 1/20 0.31
MAPT P10636 1/20 0.30
POLQ O75417 1/20 0.30

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
SCHEMBL8635203 0.88 HSP90AA1 (0.35) SMN1; SMN2LMNAALDH1A1
SCHEMBL8634504 0.87 FLT1 (0.38) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8633074 0.86 CYP3A4 (0.37) LMNAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL8636231 0.86 MCL1 (0.33) LMNAALDH1A1MAPK1MAPT
SCHEMBL8635329 0.85 SLC9A1 (0.35) SMN1; SMN2LMNAALDH1A1
SCHEMBL27351468 0.84 HRH4 (0.37)
SCHEMBL8632126 0.84 TUBB4A (0.37) LMNAALDH1A1
SCHEMBL7761423 0.83 SLC9A1 (0.45)
SCHEMBL8631189 0.83 MEN1 (0.31)
SCHEMBL8634221 0.83 SIRT2 (0.34) SMN1; SMN2LMNAALDH1A1

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