SCHEMBL13652174

SCHEMBL13652174

CNc1c(O)cnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
LRRK2 Q5S007 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
KDM1A O60341 1/20 0.42
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.39
NUDT1 P36639 1/20 0.39
ATM Q13315 1/20 0.38
RIPK2 O43353 1/20 0.38
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 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
SCHEMBL9212223 0.78 LRRK2 (0.46) LRRK2KDM4EGPR3KDM1AALDH1A1
SCHEMBL28265607 0.77 ERN1 (0.58) ERN1LRRK2KDM4EGPR3GAA
Hydrochloric Acid SCHEMBL10732475 0.76 LRRK2 (0.45) LRRK2KDM4EGPR3KDM1AGAA
SCHEMBL18998176 0.76 ALDH1A1 (0.48) LRRK2KDM4EKDM1AALDH1A1HPGD
SCHEMBL12156904 0.75 LRRK2 (0.72) LRRK2ALDH1A1HSD17B10RAF1MAP2K1
SCHEMBL5540567 0.75 ERN1 (0.55) ERN1KDM4EGPR3GAAALDH1A1
SCHEMBL25044199 0.74 IDO1 (0.44) ERN1LRRK2KDM4EGPR3KDM1A
SCHEMBL2927980 0.74 ERN1 (0.58) ERN1KDM4EGPR3GAAALDH1A1
SCHEMBL18655356 0.74 LRRK2 (0.47) LRRK2KDM4EGPR3KDM1AGAA
SCHEMBL9602762 0.71 KMT2A (0.49) LRRK2KDM4EGAAALDH1A1GLA

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-2009125809-A1 PIPERIDINE DERIVATIVES 第一三共株式会社 (JP) 2009-10-15 WO disclosed