SCHEMBL25836238

SCHEMBL25836238

COC(=O)c1ccc(NCC2CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
HCAR3 P49019 7/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GABRA5 P31644 3/20 0.46
PDE10A Q9Y233 1/20 0.46
PIM1 P11309 1/20 0.46
CRHR1 P34998 2/20 0.44
PTGER4 P35408 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL20924281 0.81 MEN1 (0.48) MAPK1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL692654 0.80 HCAR3 (0.71) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL18571767 0.79 PTGER4 (0.44) MEN1KMT2AKDM4EPDE10APIM1
SCHEMBL22247518 0.77 HCAR3 (0.70) MAPK1HCAR3MEN1KMT2AKDM4E
SCHEMBL13043454 0.77 HCAR3 (0.57) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL3962368 0.76 GPR39 (0.51) MEN1KMT2AKDM4EPIM1
SCHEMBL24774175 0.75 MAPK1 (0.51) MAPK1HCAR3KDM4EL3MBTL1GABRA5
SCHEMBL6984008 0.75 HCAR3 (0.68) MAPK1HCAR3KMT2AKDM4EL3MBTL1
SCHEMBL24975204 0.75 PTGER4 (0.47) MAPK1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL20722658 0.74 CA1 (0.62) MAPK1HCAR3KDM4EL3MBTL1GABRA5

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-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed