SCHEMBL2171096

SCHEMBL2171096

NC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.51
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
GPR34 Q9UPC5 1/20 0.42
CACNA1B Q00975 2/20 0.41
LTA4H P09960 1/20 0.41

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 0.90 SCN9A (0.48) SCN9AALDH1A1GPR34
SCHEMBL2171621 0.90 QRFPR (0.50) SCN9AALDH1A1GPR34
SCHEMBL2171851 0.90 KMT2A (0.53) SCN9AHPGDKMT2AALDH1A1
SCHEMBL2173714 0.90 SCN9A (0.45) SCN9AHPGDMEN1KMT2AALDH1A1
SCHEMBL2170108 0.89 LMNA (0.52) SCN9AMEN1KMT2AALDH1A1POLB
SCHEMBL2169958 0.89 SCN9A (0.47) SCN9AMEN1KMT2AALDH1A1
SCHEMBL2170398 0.89 ALDH1A1 (0.51) SCN9AALDH1A1KDM4ETSHR
SCHEMBL2350905 0.87 HPGD (0.48) SCN9AHPGDMEN1KMT2AALDH1A1
SCHEMBL2170146 0.87 SCN9A (0.48) SCN9AMEN1KMT2AALDH1A1
SCHEMBL2170811 0.87 MAPT (0.54) SCN9AMEN1KMT2AALDH1A1KDM4E

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