SCHEMBL17469278

SCHEMBL17469278

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
AGER Q15109 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
FGFR1 P11362 1/20 0.37
MTNR1A P48039 3/20 0.36
LMNA P02545 2/20 0.36
CASR P41180 1/20 0.36
USP2 O75604 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
HTT P42858 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
HTR2A P28223 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL17469273 0.82 POLB (0.46) KDM4EPOLBSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL17469272 0.82 MAPT (0.45) KDM4EPOLBSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL19317475 0.73 AGER (0.41) KDM4EPOLBPKMAGERSMN1; SMN2
SCHEMBL28062874 0.70 ALOX5 (0.43) KDM4EPOLBHSD17B10GAAHTT
SCHEMBL17469290 0.67 KMT2A (0.42) KDM4EALDH1A1LMNAHTTMAPT
SCHEMBL17469277 0.67 KMT2A (0.40) ALDH1A1MTNR1ALMNAHTTMEN1
SCHEMBL24653904 0.67 KAT6A (0.50) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL1489103 0.67 AGER (0.52) KDM4EPOLBPKMAGERSMN1; SMN2
SCHEMBL17469291 0.66 KMT2A (0.56) POLBSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL17469287 0.66 KMT2A (0.39) ALDH1A1MTNR1ALMNAHTTMEN1

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