SCHEMBL27770393

SCHEMBL27770393

C[C](C)Cc1nc2ccc(CN)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
UBE2T Q9NPD8 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
MAPT P10636 4/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 2/20 0.38
APP P05067 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 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
SCHEMBL4590686 0.81 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL10228326 0.76 UBE2T (0.50) RAB9ANPC1SMN1; SMN2UBE2TASIC3
SCHEMBL8193282 0.76 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3113690 0.74 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL27462967 0.74 MAPT (0.61) RAB9ANPC1SMN1; SMN2UBE2TASIC3
SCHEMBL27770511 0.72 RAB9A (0.37) RAB9ANPC1SMN1; SMN2UBE2TASIC3
SCHEMBL19941789 0.72 RAB9A (0.61) RAB9ANPC1SMN1; SMN2UBE2TASIC3
SCHEMBL14858755 0.72 KEAP1 (0.64) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6067860 0.72 ABL1 (0.65) RAB9ANPC1SMN1; SMN2DYRK1A
SCHEMBL507587 0.71 CSF1R (0.39) RAB9ANPC1SMN1; SMN2UBE2TASIC3

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-101631786-A Novel JNK inhibitors SCHERING CORP 2010-01-20 CN disclosed