SCHEMBL31663369

SCHEMBL31663369

Clc1cnc2ccc(C3CC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HDAC4 P56524 3/20 0.40
BACE1 P56817 1/20 0.37
PSMB5 P28074 1/20 0.36
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
GRM4 Q14833 1/20 0.32
DHODH Q02127 1/20 0.32
S1PR3 Q99500 1/20 0.32
ABL1 P00519 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL629503 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EHRH4FGFR3KDR
SCHEMBL30775025 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EHRH4FGFR3KDR
SCHEMBL29277971 0.72 PSMB5 (0.43) HDAC4BACE1PSMB5IDO1KDM4E
SCHEMBL29940097 0.72 PSMB5 (0.43) HDAC4BACE1PSMB5IDO1KDM4E
SCHEMBL24753435 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EPDGFRBPDGFRA
SCHEMBL361089 0.71 ALDH1A1 (0.52) ALDH1A1BACE1KDM4E
SCHEMBL621353 0.71 ALDH1A1 (0.52) ALDH1A1BACE1KDM4EPDGFRBPDGFRA
SCHEMBL9912661 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EKCNH2HRH3KDR
SCHEMBL12928106 0.71 ALDH1A1 (0.52) ALDH1A1FGFR3KDR
SCHEMBL30120162 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EPDGFRBPDGFRA

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-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed