SCHEMBL16795017

SCHEMBL16795017

CCOC(=O)n1c2ccc(C(F)F)cc2c2[nH]c(=O)c(C)c(-c3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
NTRK1 P04629 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XBP1 P17861 1/20 0.36
MAT2A P31153 2/20 0.35
GAA P10253 1/20 0.34
MDM2 Q00987 2/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL16794922 0.89 MMP2 (0.36) NTRK1ALDH1A1HPGDCYP2C19MEN1
SCHEMBL16795024 0.87 CSF1R (0.35) CSF1RNTRK1ALDH1A1HPGDCYP1A2
SCHEMBL16814655 0.81 ALDH1A1 (0.44) CSF1RNTRK1ALDH1A1HPGDCYP1A2
SCHEMBL16794891 0.79 NTRK1 (0.41) CSF1RNTRK1ALDH1A1HPGDCYP1A2
SCHEMBL16794889 0.76 NTRK1 (0.40) NTRK1ALDH1A1MEN1KMT2A
SCHEMBL16794835 0.74 CSF1R (0.50) CSF1RALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL16794875 0.74 NTRK1 (0.37) CSF1RNTRK1ALDH1A1HPGDHSD17B10
SCHEMBL16795011 0.71 CHEK1 (0.44) CSF1RALDH1A1HPGDHSD17B10MEN1
SCHEMBL16794921 0.70 LMNA (0.37) CSF1RALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL16794967 0.69 NTRK1 (0.48) NTRK1ALDH1A1HPGDHSD17B10MEN1

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
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed