SCHEMBL5547745

SCHEMBL5547745

[c]1cccc2sc(-c3ccncc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
AR P10275 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC7 O00311 6/20 0.38
DBF4 Q9UBU7 6/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP19A1 P11511 3/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL5540904 0.86 KDM4E (0.42) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL10495624 0.82 APP (0.57) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL5591719 0.81 TNF (0.42) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL5598274 0.78 TNF (0.60) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL27873736 0.75 RAB9A (0.49) KDM4ENPC1RAB9AKMT2ACYP19A1
SCHEMBL10505563 0.73 KDM4E (0.56) KDM4ENPC1RAB9AARKMT2A
SCHEMBL5591820 0.72 ALDH1A1 (0.47) KDM4ENPC1RAB9AKMT2AIDO1
SCHEMBL4729573 0.72 RAB9A (1.00) KDM4ENPC1RAB9AKMT2AMAPT
SCHEMBL5591755 0.71 PIK3CD (0.42) NPC1RAB9AKMT2A
SCHEMBL212081 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed