SCHEMBL2173707

SCHEMBL2173707

CC(NC(=O)CN1CCC(N2CCCC2)CC1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
HRH3 Q9Y5N1 13/20 0.48
GLA P06280 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2170390 0.88 SMN1; SMN2 (0.56) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2185321 0.85 IDO1 (0.47) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2171842 0.83 ALDH1A1 (0.64) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2171615 0.83 ALDH1A1 (0.51) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2169800 0.83 ALDH1A1 (0.51) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL1375086 0.81 S1PR1 (0.57) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL1375081 0.81 S1PR1 (0.57) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL3132407 0.81 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2170963 0.80 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL2170428 0.80 ALDH1A1 (0.47) MEN1KMT2AHPGDALDH1A1KDM4E

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed