SCHEMBL5489419

SCHEMBL5489419

CCCn1c(C(N)=O)c(C(CC)Cc2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PGR P06401 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL5277418 0.78 KDM4E (0.60) NPC1KDM4EALDH1A1HPGDPOLB
SCHEMBL7076384 0.69 MAPT (0.47) NPC1KDM4EALDH1A1GAAMEN1
SCHEMBL5489412 0.68 MEN1 (0.41) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL25437053 0.68 NPC1 (0.56) NPC1KDM4EALDH1A1HPGDLMNA
SCHEMBL7744033 0.66 F10 (0.56) KDM4EALDH1A1MEN1KMT2A
SCHEMBL29643244 0.66 NPC1 (0.80) NPC1KDM4EALDH1A1HPGDLMNA
SCHEMBL28266234 0.66 NPC1 (0.80) NPC1KDM4EALDH1A1HPGDLMNA
SCHEMBL21822408 0.66 KDM4E (0.60) NPC1KDM4EALDH1A1HPGDLMNA
SCHEMBL27361847 0.66 KDM4E (0.62) NPC1KDM4EALDH1A1CNR2CNR1
SCHEMBL27507950 0.66 NPC1 (0.56) NPC1KDM4EALDH1A1CNR2CNR1

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
US-8974823-B2 Solid compositions of low-solubility drugs and poloxamers BEND RESEARCH, INC. (US) 2015-03-10 US disclosed
US-20070141143-A1 Solid compositions of low-solubility drugs and poloxamers PFIZER PRODUCTS INC. 2007-06-21 US disclosed