SCHEMBL16087246

SCHEMBL16087246

O=C(c1ccc2ncccc2c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HSD11B1 P28845 5/20 0.51
ATM Q13315 1/20 0.49
CCR3 P51677 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RORC P51449 1/20 0.46
CHRM1 P11229 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL16087384 0.87 L3MBTL1 (0.58) LMNAMEN1KMT2AMAPTHSD11B1
SCHEMBL16087283 0.83 L3MBTL1 (0.63) LMNAMEN1KMT2APOLBMAPT
SCHEMBL2225804 0.82 MAPT (0.56) LMNAMEN1KMT2APOLBMAPT
SCHEMBL16087252 0.82 SCN9A (0.51) LMNAKMT2AMAPTATMSMN1; SMN2
SCHEMBL1946969 0.82 L3MBTL1 (0.68) LMNAMEN1KMT2APOLBMAPT
SCHEMBL1429673 0.82 L3MBTL1 (0.70) LMNAMEN1KMT2APOLBMAPT
SCHEMBL16087187 0.81 PKM (0.54) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL16087385 0.81 L3MBTL1 (0.66) LMNAMEN1KMT2AMAPTHSD11B1
SCHEMBL17953068 0.81 KMT2A (0.58) LMNAMEN1KMT2APOLBMAPT
SCHEMBL1429810 0.81 MEN1 (0.52) LMNAMEN1KMT2APOLBMAPT

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