SCHEMBL20097163

SCHEMBL20097163

CCn1c2ccccc2c2ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 1/20 0.56
HBB P68871 1/20 0.56
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM1A O60341 1/20 0.50
LMNA P02545 3/20 0.49
RORC P51449 1/20 0.48
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
NSD2 O96028 1/20 0.47

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
SCHEMBL15868578 0.89 MAPT (0.65) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL29643189 0.89 MAPT (0.65) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL13979310 0.83 KDM4E (0.70) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL29963695 0.82 ALDH1A1 (0.75) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL151563 0.82 ALDH1A1 (0.75) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL29360167 0.82 ALDH1A1 (0.75) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL5999686 0.81 KDM4E (0.59) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL18121158 0.81 KDM4E (0.68) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL12498669 0.80 ALDH1A1 (0.72) KDM4EMAPTALDH1A1MAPK1MEN1
SCHEMBL31676670 0.80 ALDH1A1 (0.72) KDM4EMAPTALDH1A1MAPK1MEN1

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 WO disclosed