SCHEMBL7899384

SCHEMBL7899384

CC1(C)COCN1C(=O)n1nnc2ccc(C=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CNR2 P34972 3/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CNR1 P21554 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7906239 0.91 KCNMA1 (0.37) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL425936 0.86 KCNMA1 (0.39) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL427663 0.84 FAAH (0.36) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL444875 0.83 HCAR3 (0.40) GAAHPGDFAAHMGLLMGAM
SCHEMBL425919 0.82 HDAC3 (0.43) GAAKDM4ESMN1; SMN2CNR2HSD17B10
SCHEMBL426089 0.82 NAMPT (0.38) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL424689 0.81 KCNMA1 (0.42) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL425578 0.81 FAAH (0.47) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL426102 0.81 FAAH (0.42) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL426009 0.80 GAA (0.46) GAAKDM4EALDH1A1HPGDSMN1; SMN2

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-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed