SCHEMBL38249

SCHEMBL38249

C=CCNc1nc(-c2ccccc2-c2ccc(N3CCCC3=O)nc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
MAPT P10636 8/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1914593 0.85 CNR2 (0.53) CNR2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1916104 0.82 CNR2 (0.51) CNR2RAB9ANPC1MEN1KMT2A
SCHEMBL25835528 0.80 MAPT (0.57) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL38521 0.75 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL16498065 0.71 NPC1 (0.43) CNR2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1914575 0.69 CNR2 (0.46) CNR2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL38611 0.69 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL12068637 0.69 CNR2 (0.42) CNR2RAB9ASMN1; SMN2NPC1
SCHEMBL16498422 0.69 NPC1 (0.41) RAB9ANPC1
SCHEMBL1914752 0.68 FFAR2 (0.60) CNR2MAPTRAB9ASMN1; SMN2NPC1

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed