SCHEMBL6986247

SCHEMBL6986247

CN(C(=O)c1cccc2c1NCCC2)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 2/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
SLC13A5 Q86YT5 1/20 0.36
MAOA P21397 2/20 0.36
KDM1A O60341 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
BCL2 P10415 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL6983702 0.78 SRC (0.47) SRCSLC13A5
SCHEMBL1520555 0.78 SRC (0.51) SRCKDM4EKMT2ASLC13A5
SCHEMBL30647012 0.78 SRC (0.51) SRCKDM4EKMT2ASLC13A5
SCHEMBL3729724 0.77 SRC (0.50) SRCKDM4ESLC13A5
SCHEMBL5535285 0.74 SRC (0.50) SRCKDM4ESLC13A5
SCHEMBL749668 0.74 SRC (0.47) SRCKDM4EKMT2ASLC13A5L3MBTL1
SCHEMBL3630293 0.73 SRC (0.50) POLBSRCKDM4EKMT2AHTT
SCHEMBL6986243 0.73 KDM4E (0.62) POLBKDM4EKMT2AMAOBEGFR
SCHEMBL9001638 0.73 POLB (0.75) POLBKDM4EKMT2AMAOBEGFR
SCHEMBL9120591 0.71 L3MBTL1 (0.45) SRCKMT2AHTTL3MBTL1

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed