SCHEMBL14218922

SCHEMBL14218922

Cc1ccc2nc(CF)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
MAPT P10636 4/20 0.56
APP P05067 5/20 0.51
NPC1 O15118 8/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.46
DYRK1A Q13627 1/20 0.46
SNCA P37840 1/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KLF5 Q13887 1/20 0.44
MAPK1 P28482 1/20 0.44
ACP1 P24666 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL12600035 0.86 SMN1; SMN2 (0.47) RAB9AMAPTAPPNPC1GAA
SCHEMBL11330644 0.85 RAB9A (0.59) RAB9AMAPTAPPNPC1GAA
SCHEMBL10271315 0.84 RAB9A (0.66) RAB9AMAPTAPPNPC1GAA
SCHEMBL19941789 0.82 RAB9A (0.61) RAB9AMAPTAPPNPC1GAA
SCHEMBL15086785 0.82 RAB9A (0.56) RAB9AMAPTAPPNPC1GAA
SCHEMBL17038162 0.82 RAB9A (0.56) RAB9AMAPTAPPNPC1GAA
SCHEMBL20653568 0.82 RAB9A (0.56) RAB9AMAPTAPPNPC1GAA
SCHEMBL26426430 0.82 RAB9A (0.56) RAB9AMAPTAPPNPC1GAA
SCHEMBL20049378 0.81 RAB9A (0.54) RAB9AMAPTAPPNPC1GAA
SCHEMBL23176734 0.79 RAB9A (0.53) RAB9AMAPTAPPNPC1GAA

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-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed