SCHEMBL28044641

SCHEMBL28044641

COCCOc1ccc(-c2n[c]cs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
CHEK1 O14757 2/20 0.36
CHEK2 O96017 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 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
SCHEMBL29356666 0.75 LOXL2 (0.51) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL13554406 0.74 CYP3A4 (0.50) MAPTKDM4ECHEK1CHEK2CYP3A4
SCHEMBL30646177 0.73 LTA4H (0.39) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL8339774 0.72 MAPT (0.52) RAB9AMAPTKDM4EL3MBTL1RECQL
SCHEMBL982041 0.72 TSHR (0.32)
SCHEMBL17713905 0.70 KDM4E (0.76) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL14930515 0.69 MCHR1 (0.51) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL22965412 0.69 KDM4E (0.56) MAPTKDM4ESMN1; SMN2L3MBTL1CHEK1
SCHEMBL14930473 0.69 MCHR1 (0.51) RAB9AMAPTKDM4ENPC1SMN1; SMN2
SCHEMBL7425025 0.68 CYP3A4 (0.42) MAPTKDM4ECHEK1CHEK2CYP3A4

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
CN-105073745-A Glucosylceramide synthase inhibitors GENZYME CORP 2015-11-18 CN disclosed