SCHEMBL9140652

SCHEMBL9140652

CC(C)OC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(F)cc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
P4HTM Q9NXG6 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
PTGS2 P35354 3/20 0.44
MCHR1 Q99705 1/20 0.44
PTGS1 P23219 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL9140344 1.00 MAPT (0.53) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9139706 0.93 MAPT (0.55) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9139880 0.93 MAPT (0.55) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL8868676 0.91 MAPT (0.49) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL8869129 0.91 MAPT (0.49) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9140513 0.91 MAPT (0.50) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9140567 0.91 EGFR (0.52) MAPTMEN1KMT2ABCL2L1MCL1
SCHEMBL9139108 0.91 P4HTM (0.54) MAPTMEN1KMT2AP4HTMNPC1
SCHEMBL9137603 0.90 NPC1 (0.45) MAPTP4HTMTP53NPC1RAB9A
SCHEMBL9144510 0.90 MAPT (0.53) MAPTMEN1KMT2AP4HTMCA12

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