SCHEMBL9140656

SCHEMBL9140656

COc1ccc(Cl)c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)OCc4ccccc4)nc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
P4HTM Q9NXG6 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
BCL2L1 Q07817 2/20 0.44
MCL1 Q07820 2/20 0.44
KDM4E B2RXH2 1/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL8868823 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL9136744 0.91 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL8868577 0.91 P4HTM (0.53) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL9140771 0.90 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL8869039 0.89 LMNA (0.53) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL9139317 0.89 P4HTM (0.55) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL9018112 0.89 LMNA (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL9140778 0.88 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL8869766 0.88 P4HTM (0.53) SMN1; SMN2LMNAALDH1A1MAPTP4HTM
SCHEMBL8868488 0.87 LMNA (0.51) SMN1; SMN2LMNAALDH1A1MAPTP4HTM

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed