SCHEMBL25317589

SCHEMBL25317589

N#CC1(CNC(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
KCNH2 Q12809 5/20 0.36
P2RX7 Q99572 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL21747533 0.87 DPP4 (0.35) KCNH2P2RX7
SCHEMBL23189791 0.82 KDM1A (0.31) KDM1A
SCHEMBL16790608 0.81 KCNH2 (0.36) KDM1AKCNH2P2RX7
SCHEMBL24674667 0.81 P2RX7 (0.35) KDM1AKCNH2P2RX7
SCHEMBL23189901 0.79 RORC (0.41) KCNH2
SCHEMBL25237978 0.78
SCHEMBL24675499 0.78 HSD17B10 (0.44) KDM1AKCNH2P2RX7HSD17B10
SCHEMBL23547584 0.78 MEN1 (0.39) KDM1AKCNH2P2RX7HSD17B10
SCHEMBL24756929 0.76 KCNH2 (0.34) KDM1AKCNH2P2RX7
SCHEMBL23894814 0.76 DPP4 (0.35) KDM1AKCNH2P2RX7

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-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed