SCHEMBL4374780

SCHEMBL4374780

CCOc1c(OC)cnc(C)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
FPR2 P25090 7/20 0.37
TUBB1 Q9H4B7 1/20 0.37
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
BPTF Q12830 1/20 0.33
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL4372081 0.81 ENPP1 (0.39) HTR2AHTR2CHTR2BFPR2TUBB1
SCHEMBL4369345 0.76 AOC3 (0.43) HTR2AHTR2CHTR2BFPR2TUBB1
SCHEMBL24501262 0.75 ALDH1A1 (0.32) TUBB1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL4372417 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BFPR2TUBB1
SCHEMBL30128522 0.71 PDE10A (0.31) ALDH1A1MAPT
SCHEMBL20594900 0.71 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL21932394 0.71 PDE10A (0.31) ALDH1A1MAPT
SCHEMBL27592899 0.70 ACHE (0.41) TUBB1KDM4EALDH1A1KMT2AHPGD
SCHEMBL21823585 0.69 TUBB1 (0.44) HTR2AHTR2CHTR2BFPR2TUBB1
SCHEMBL24501260 0.69 ALDH1A1 (0.31) ALDH1A1HSD17B10

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-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed