SCHEMBL16087385

SCHEMBL16087385

Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 5/20 0.61
ATM Q13315 1/20 0.53
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 4/20 0.51
HCRTR1 O43613 1/20 0.51
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL16087187 0.89 PKM (0.54) L3MBTL1TDP1LMNAATMSMN1; SMN2
SCHEMBL16087283 0.89 L3MBTL1 (0.63) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087362 0.87 L3MBTL1 (0.54) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087384 0.87 L3MBTL1 (0.58) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087368 0.86 KMT2A (0.59) L3MBTL1TDP1LMNAKMT2AMEN1
SCHEMBL16087429 0.86 TDP1 (0.48) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087252 0.84 SCN9A (0.51) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087358 0.83 KMT2A (0.53) L3MBTL1TDP1LMNAATMKMT2A
SCHEMBL16087255 0.83 KMT2A (0.53) ATMKMT2ASMN1; SMN2MEN1GAA
SCHEMBL16087246 0.81 LMNA (0.56) L3MBTL1LMNAATMKMT2ASMN1; SMN2

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
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 EP claimed