SCHEMBL29792909

SCHEMBL29792909

Nc1ncc(C2CC2)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 15/20 0.38
USP7 Q93009 1/20 0.36
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL21356631 1.00 KDM4E (0.38) KDM4EMAPK1USP7HRH1HRH4
SCHEMBL21355171 0.82 NOS3 (0.38) KDM4EMAPK1HRH1HRH4HRH3
SCHEMBL29127205 0.80 KDM4E (0.39) KDM4E
SCHEMBL3923713 0.78 LMNA (0.42) KDM4EMAPK1HRH1HRH4HRH3
SCHEMBL24738192 0.78 MAPK1 (0.36) KDM4EMAPK1
SCHEMBL21356126 0.78 PLAU (0.38) KDM4EMAPK1
SCHEMBL24738195 0.76 KDM4E (0.34) KDM4EMAPK1
SCHEMBL14192011 0.75 SSTR5 (0.41) KDM4E
SCHEMBL21712544 0.72 KDM4E (0.38) KDM4EMAPK1USP7HRH1HRH4
SCHEMBL14934977 0.72 KDM4E (0.38) KDM4EMAPK1HRH1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed