SCHEMBL17469273

SCHEMBL17469273

C#CCOc1ccc2c(c1)c(C(=O)C(F)(F)F)c(C(F)(F)F)n2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 2/20 0.37
HPGD P15428 1/20 0.37
CASR P41180 3/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 2/20 0.35

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) POLBMAPTSMN1; SMN2HSD17B10MTNR1A
SCHEMBL17469272 0.82 MAPT (0.45) POLBMAPTNPSR1SMN1; SMN2HSD17B10
SCHEMBL19317473 0.73 MTNR1A (0.38) POLBMAPTNPSR1PPARGMTNR1A
SCHEMBL28062874 0.70 ALOX5 (0.43) POLBHSD17B10HTTKDM4EGAA
SCHEMBL17469290 0.67 KMT2A (0.42) MAPTHTTALDH1A1KDM4ETSHR
SCHEMBL17469277 0.67 KMT2A (0.40) MTNR1AHTTALDH1A1TSHRLMNA
SCHEMBL17469291 0.66 KMT2A (0.56) POLBMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL17469287 0.66 KMT2A (0.39) MTNR1AHTTALDH1A1TSHRLMNA
SCHEMBL24236616 0.66 PLA2G2A (0.58) POLBALDH1A1TSHR
SCHEMBL17469288 0.64 MEN1 (0.40) MAPTSMN1; SMN2HTTALDH1A1KDM4E

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-2020028060-A1 NEUROPROTECTIVE COMPOUNDS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-02-06 WO disclosed
WO-2016014426-A1 ORGANIC REACTIONS THE ARIZONA BOARD OF REGENTS (US) 2016-01-28 WO disclosed