SCHEMBL2170811

SCHEMBL2170811

NC(=O)C(Cc1ccc(Oc2ccc(F)cc2)cc1)NC(=O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
REV1 Q9UBZ9 1/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ITGA4 P13612 1/20 0.48
SCN9A Q15858 1/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
GFER P55789 1/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL2170108 0.95 LMNA (0.52) MAPTLMNAREV1ALDH1A1POLB
SCHEMBL2171705 0.91 MEN1 (0.60) MAPTLMNAREV1ALDH1A1MEN1
SCHEMBL2170332 0.89 ALDH1A1 (0.53) MAPTLMNAALDH1A1SCN9AMEN1
SCHEMBL2171096 0.87 SCN9A (0.51) ALDH1A1POLBKDM4ESCN9AMEN1
SCHEMBL2354704 0.87 ALDH1A1 (0.50) MAPTALDH1A1KDM4ESCN9AHTT
SCHEMBL2170255 0.86 ALDH1A1 (0.57) MAPTLMNAALDH1A1POLBKDM4E
SCHEMBL2169959 0.86 TSHR (0.58) MAPTLMNAALDH1A1KDM4EUSP2
SCHEMBL2171851 0.86 KMT2A (0.53) ALDH1A1SCN9AKMT2A
SCHEMBL2169958 0.84 SCN9A (0.47) LMNAALDH1A1SCN9AMEN1KMT2A
SCHEMBL2169808 0.84 SCN9A (0.48) ALDH1A1SCN9A

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