SCHEMBL23536016

SCHEMBL23536016

CCOC(=O)C1CCN(c2c(F)cccc2C(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 4/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL23555263 0.83 ALDH1A1 (0.39) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL23536282 0.81 RECQL (0.54) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL29931917 0.81 MCOLN2 (0.35) LMNA
SCHEMBL29948520 0.80 KDM4E (0.54) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL23536343 0.80 KDM4E (0.54) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL29948481 0.80 SMN1; SMN2 (0.49) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL23536337 0.80 SMN1; SMN2 (0.49) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL14804205 0.78 KDM4E (0.64) KMT2APOLBSMN1; SMN2KDM4ETSHR
SCHEMBL23536141 0.77 MEN1 (0.34) KDM4EMEN1L3MBTL1LMNA
SCHEMBL14804206 0.73 TSHR (0.67) KMT2APOLBSMN1; SMN2KDM4ETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed