SCHEMBL9138985

SCHEMBL9138985

CCCCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OCCC)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
P4HTM Q9NXG6 4/20 0.46
KMT2A Q03164 3/20 0.46
FBP1 P09467 1/20 0.44
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KAT6A Q92794 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9137866 0.96 P4HTM (0.44) SMN1; SMN2P4HTMKMT2AFBP1BCL2L1
SCHEMBL9141501 0.95 P4HTM (0.44) SMN1; SMN2P4HTMKMT2ABCL2L1MCL1
SCHEMBL9139408 0.93 KMT2A (0.43) SMN1; SMN2P4HTMKMT2AFBP1ALDH1A1
SCHEMBL9139739 0.93 P4HTM (0.46) P4HTMKMT2ABCL2L1MCL1ALDH1A1
SCHEMBL9141271 0.92 SMN1; SMN2 (0.49) SMN1; SMN2P4HTMKMT2AFBP1BCL2L1
SCHEMBL9139355 0.92 P4HTM (0.48) SMN1; SMN2P4HTMKMT2ABCL2L1MCL1
SCHEMBL9140572 0.92 P4HTM (0.46) SMN1; SMN2P4HTMKMT2AALDH1A1MAPT
SCHEMBL9140303 0.91 P4HTM (0.44) P4HTMKMT2AFBP1BCL2L1MCL1
SCHEMBL9139623 0.91 P4HTM (0.46) SMN1; SMN2P4HTMKMT2AALDH1A1MAPT
SCHEMBL9142109 0.90 SMN1; SMN2 (0.47) SMN1; SMN2P4HTMKMT2AFBP1BCL2L1

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