SCHEMBL18091502

SCHEMBL18091502

O=C(O)C1Cc2cc(F)c(F)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28390141 0.79 ACHE (0.58) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL15377010 0.79 HTR2C (0.43) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL29992627 0.79 KDM4E (0.45) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL18093460 0.77 ALDH1A1 (0.81) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL4859012 0.75 ACHE (0.61)
SCHEMBL5713296 0.72 METAP1 (0.49) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL31460528 0.72 METAP1 (0.49) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL27579033 0.72 METAP1 (0.49) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL28389652 0.72 ACHE (0.60) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6975180 0.72 ACHE (0.37) KDM4EMEN1ALDH1A1GAAMAPT

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
EP-3072884-A1 NOVEL 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2016-09-28 EP disclosed