SCHEMBL9966087

SCHEMBL9966087

CC(F)(F)c1cc(-c2ccc(C(=O)NCCN3CCOCC3)s2)nn1CF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
MMP12 P39900 4/20 0.44
LMNA P02545 4/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
MAPK1 P28482 2/20 0.43
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL1593840 0.85 ALDH1A1 (0.54) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL14412293 0.84 CHRNB2 (0.43) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL1594589 0.80 MEN1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL1594477 0.76 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL14960293 0.76 ALDH1A1 (0.46) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL1593887 0.76 ALDH1A1 (0.56) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL14412294 0.74 HDAC3 (0.45) ALDH1A1MAPT
SCHEMBL11916012 0.73 KMT2A (0.59) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL4928264 0.72 MMP12 (0.68) KMT2AMEN1L3MBTL1HPGDGAA
Hydrochloric Acid SCHEMBL21625705 0.72 NPC1 (0.56) KMT2AKDM4EHSD17B10GAAMMP12

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-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 EP disclosed