SCHEMBL2170433

SCHEMBL2170433

NC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.47
DPP4 P27487 3/20 0.43
DPP7 Q9UHL4 1/20 0.43
ALDH1A1 P00352 2/20 0.39
GPR34 Q9UPC5 2/20 0.39
TACR2 P21452 1/20 0.38
KMT2A Q03164 1/20 0.37
FCER2 P06734 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL2169808 0.94 SCN9A (0.48) SCN9ADPP4DPP7ALDH1A1GPR34
SCHEMBL2171096 0.86 SCN9A (0.51) SCN9AALDH1A1GPR34KMT2A
SCHEMBL2171621 0.84 QRFPR (0.50) SCN9AALDH1A1GPR34
SCHEMBL2171851 0.84 KMT2A (0.53) SCN9AALDH1A1TACR2KMT2A
SCHEMBL2170108 0.83 LMNA (0.52) SCN9AALDH1A1KMT2A
SCHEMBL2169958 0.82 SCN9A (0.47) SCN9AALDH1A1KMT2A
SCHEMBL2170398 0.82 ALDH1A1 (0.51) SCN9AALDH1A1
SCHEMBL2172994 0.82 POLB (0.52) SCN9AALDH1A1GPR34TACR2FCER2
SCHEMBL2170146 0.80 SCN9A (0.48) SCN9AALDH1A1TACR2KMT2A
SCHEMBL2170811 0.80 MAPT (0.54) SCN9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed