SCHEMBL17469272

SCHEMBL17469272

COc1ccc2c(c1)c(C(=O)C(F)(F)F)c(C(F)(F)F)n2C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 7/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PTGS2 P35354 1/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 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
SCHEMBL17469278 0.82 KDM4E (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL17469273 0.82 POLB (0.46) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL24236616 0.79 PLA2G2A (0.58) ALDH1A1MEN1KMT2AMAPK1POLB
SCHEMBL17469277 0.78 KMT2A (0.40) ALDH1A1CYP1A2CYP2C19HTTMEN1
SCHEMBL17469290 0.78 KMT2A (0.42) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL5241382 0.77 EGFR (0.48) SMN1; SMN2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL17469291 0.77 KMT2A (0.56) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL17469283 0.77 MEN1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL17469287 0.77 KMT2A (0.39) ALDH1A1HTTMEN1KMT2AL3MBTL1
SCHEMBL28062874 0.76 ALOX5 (0.43) KDM4EHSD17B10HTTGAAPOLB

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
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO disclosed