SCHEMBL24471013

SCHEMBL24471013

Cc1ccc(COc2ccc3oc(C)c(C(=O)N4CC5(CCC(=O)N5)C4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC26A4 O43511 5/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ANO1 Q5XXA6 4/20 0.45
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ ACHE P22303 1/20 0.40

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
SCHEMBL20695245 0.93 SLC26A4 (0.59) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL20695121 0.77 CYP2C19 (0.42) KMT2AMEN1LMNAHTTL3MBTL1
SCHEMBL20708937 0.76 SLC26A4 (0.49) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24471001 0.75 SLC26A4 (0.82) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL29713104 0.75 SLC26A4 (0.82) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL24470733 0.74 MAOB (0.40) MAOBMAOAMAPTACHE
SCHEMBL20695445 0.73 SLC26A4 (0.50) SLC26A4KMT2AMEN1MAPT
SCHEMBL24470576 0.72 CASP3 (0.69) SLC26A4KMT2AMEN1LMNABLM
SCHEMBL20708931 0.72 NPC1 (0.58) KMT2AMEN1HTTMAPTTSHR
SCHEMBL24470590 0.71 CASP3 (0.68) SLC26A4KMT2AMEN1LMNABLM

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
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 — — WO disclosed
Send feedback