SCHEMBL22747822

SCHEMBL22747822

O=C(O)c1c(N2CCCCC2)c2c(Cl)c(Cl)ccc2n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
FOLH1 Q04609 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
EDNRA P25101 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
ALOX15 P16050 3/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 3/20 0.36
CNR2 P34972 1/20 0.35
REN P00797 1/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL22760495 0.99 FOLH1 (0.37) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22748438 0.91 SMN1; SMN2 (0.43) GAAALDH1A1HPGDHSD17B10MEN1
SCHEMBL22748447 0.90 USP14 (0.39) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL22760549 0.89 USP14 (0.36) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22747854 0.88 GAA (0.37) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22760063 0.88 EDNRA (0.39) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22747830 0.88 EDNRA (0.39) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22747835 0.88 KMO (0.40) GAAALDH1A1HPGDKDM4EEDNRA
SCHEMBL22748260 0.88 GAA (0.37) GAAFOLH1ALDH1A1HPGDHSD17B10
SCHEMBL22748355 0.87 EDNRA (0.40) GAAFOLH1ALDH1A1HPGDHSD17B10

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-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed