SCHEMBL13458048

SCHEMBL13458048

C=Cc1nc2ccc(C)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
MAPT P10636 6/20 0.56
NPC1 O15118 8/20 0.47
APP P05067 5/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
DYRK1A Q13627 1/20 0.46
SNCA P37840 1/20 0.45
INSR P06213 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 1/20 0.40
ACP1 P24666 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL12566874 0.86 MAPT (0.47) RAB9AMAPTNPC1KDM4EGLA
SCHEMBL11173803 0.82 MAPT (0.56) RAB9AMAPTNPC1APPKDM4E
SCHEMBL22694934 0.81 RAB9A (0.54) RAB9AMAPTNPC1APPKDM4E
SCHEMBL17038163 0.79 RAB9A (0.53) RAB9AMAPTNPC1APPKDM4E
SCHEMBL13458053 0.79 HTT (0.56) MAPTAPPGAADYRK1ASNCA
SCHEMBL12545463 0.78 CYP1A2 (0.59) RAB9AMAPTNPC1APPDYRK1A
Cyanide SCHEMBL22130066 0.78 RAB9A (0.51) RAB9AMAPTNPC1APPKDM4E
SCHEMBL12566875 0.76 INSR (0.42) RAB9AMAPTNPC1APPKDM4E
SCHEMBL27365085 0.76 RAB9A (0.61) RAB9AMAPTNPC1APPKDM4E
SCHEMBL13444809 0.75 MAPT (0.69) RAB9AMAPTNPC1APPKDM4E

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-2010024463-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2010-03-04 WO disclosed