SCHEMBL4863204

SCHEMBL4863204

O=C(NCCCCc1ccccc1)C(Cc1cc[c]cc1)NS(=O)(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
NPY5R Q15761 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP8 P22894 1/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
AVPR1B P47901 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL4863198 1.00 KMT2A (0.44) KMT2ANPY5RLMNASMN1; SMN2MMP8
SCHEMBL3741457 0.83 PTPN1 (0.44) KMT2ANPY5R
SCHEMBL3741458 0.83 PTPN1 (0.44) KMT2ANPY5R
SCHEMBL4861466 0.83 NPY5R (0.47) NPY5RMMP2MMP9
SCHEMBL4861471 0.83 NPY5R (0.47) NPY5RMMP2MMP9
SCHEMBL4858174 0.82 MMP2 (0.56) NPY5RMMP2MMP9CNR1
SCHEMBL4857262 0.82 NPY5R (0.62) NPY5RLMNASMN1; SMN2HTTMMP2
SCHEMBL4857259 0.82 NPY5R (0.62) NPY5RLMNASMN1; SMN2HTTMMP2
SCHEMBL4858181 0.82 MMP2 (0.56) NPY5RMMP2MMP9CNR1
SCHEMBL3741460 0.81 SRC (0.47) KMT2ANPY5RLMNASMN1; SMN2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed