SCHEMBL3246184

SCHEMBL3246184

O=C(NCc1cn(-c2ccc(N3CCCCC3=O)cc2)nc1-c1ccncc1)Oc1ccc(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
DGAT2 Q96PD7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL3244696 0.88 F10 (0.45) F10F2
SCHEMBL3507150 0.87 F10 (0.49) F10F2MAPT
SCHEMBL3238076 0.81 F10 (0.49) F10F2ALDH1A1HSD17B10TSHR
SCHEMBL8225098 0.80 F10 (0.50) F10F2MAPTALDH1A1KMT2A
SCHEMBL3244205 0.79 F10 (0.41) F10F2ALDH1A1DGAT2KDM4E
Hydrochloric Acid SCHEMBL3245423 0.79 F10 (0.44) F10F2SMN1; SMN2
SCHEMBL8225103 0.78 F10 (0.47) F10F2DGAT2
Hydrochloric Acid SCHEMBL3262758 0.78 DGAT2 (0.40) F10F2MAPTHPGDDGAT2
Hydrochloric Acid SCHEMBL3508737 0.78 F10 (0.46) F10F2DGAT2
SCHEMBL8230562 0.75 F10 (0.60) F10F2

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-2029546-B1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-28 EP disclosed