SCHEMBL20713612

SCHEMBL20713612

CCc1cn2cc(I)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KDM4E B2RXH2 5/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL16200827 0.81 DRD2 (0.43) APPDRD2DRD4DRD3KDM4E
SCHEMBL973963 0.81 DRD2 (0.43) APPDRD2DRD4DRD3KDM4E
SCHEMBL13633339 0.81 NPC1 (0.52) APPKDM4ETP53NPC1RAB9A
SCHEMBL10222603 0.79 KDM4E (0.44) APPKDM4ETP53NPC1RAB9A
SCHEMBL31210804 0.78 APP (0.43) APPKDM4ETP53NPC1RAB9A
SCHEMBL13080964 0.78 APP (0.46) APPKDM4ETP53NPC1RAB9A
SCHEMBL1500151 0.78 PIK3CG (0.55) APPDRD2DRD4DRD3KDM4E
SCHEMBL8180039 0.78 GRM5 (0.47) APPDRD2DRD4DRD3KDM4E
SCHEMBL8814958 0.78 KDM4E (0.68) APPKDM4ETP53NPC1RAB9A
SCHEMBL423547 0.76 NPC1 (0.58) KDM4ETP53NPC1RAB9AMAPT

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-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed