SCHEMBL16087429

SCHEMBL16087429

Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ncccc4c3)CC2)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CCR3 P51677 1/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.45
PLK1 P53350 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE2A O00408 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL16087368 0.89 KMT2A (0.59) TDP1L3MBTL1CCR3HTTHPGD
SCHEMBL16087385 0.86 L3MBTL1 (0.66) TDP1L3MBTL1SMN1; SMN2LMNAATM
SCHEMBL16087283 0.82 L3MBTL1 (0.63) TDP1L3MBTL1SMN1; SMN2LMNAATM
SCHEMBL16087187 0.82 PKM (0.54) TDP1L3MBTL1SMN1; SMN2LMNAATM
SCHEMBL16087255 0.80 KMT2A (0.53) SMN1; SMN2ATMALDH1A1MEN1KMT2A
SCHEMBL16087384 0.79 L3MBTL1 (0.58) TDP1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL16087362 0.79 L3MBTL1 (0.54) TDP1L3MBTL1CCR3SMN1; SMN2LMNA
SCHEMBL16087358 0.78 KMT2A (0.53) TDP1L3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL14777810 0.78 HCRTR1 (0.53) L3MBTL1CCR3HTTSMN1; SMN2LMNA
SCHEMBL6986208 0.77 HPGD (0.71) HTTHPGDDPP4DPP8SMN1; 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