SCHEMBL18256338

SCHEMBL18256338

CCNC(=O)CCCCNC(N)=S

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 4/20 0.47
CASP2 P42575 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
NAAA Q02083 1/20 0.42
DNM1 Q05193 2/20 0.41
TSHR P16473 1/20 0.39
CAPN1 P07384 1/20 0.38

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
SCHEMBL14500856 0.83 FAAH (0.62) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL20174142 0.82 MEN1 (0.71) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL22188060 0.81 FAAH (0.55) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL4758347 0.80 FAAH (0.68) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL9618659 0.79 FAAH (0.81) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL20163294 0.79 FAAH (0.72) FAAHEPHX2CASP2SLC6A5NAAA
SCHEMBL20998615 0.79 PAOX (0.50) MEN1KMT2AEPHX2CASP2
SCHEMBL31631415 0.79 FAAH (0.61) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL6683810 0.78 FAAH (0.72) FAAHMEN1KMT2AEPHX2CASP2
SCHEMBL29637710 0.78 FAAH (0.72) FAAHMEN1KMT2AEPHX2CASP2

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
WO-2016184561-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2016-11-24 WO disclosed