SCHEMBL24527461

SCHEMBL24527461

CNCCCCNc1cnc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PTGS2 P35354 1/20 0.34
▸ BCDIN3D Q7Z5W3 1/20 0.34
▸ CHEK1 O14757 2/20 0.33
▸ HCAR3 P49019 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HCRTR1 O43613 7/20 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
SCHEMBL13663255 0.75 TRPV4 (0.39) BCDIN3DHCAR3KDM4EHCRTR1
SCHEMBL19203407 0.73 KDM4E (0.41) PTGS2BCDIN3DHCAR3KDM4EALDH1A1
SCHEMBL19203405 0.73 KDM4E (0.41) PTGS2BCDIN3DHCAR3KDM4EALDH1A1
SCHEMBL30658431 0.73 KDM4E (0.41) PTGS2BCDIN3DHCAR3KDM4EALDH1A1
SCHEMBL20715568 0.69 KDM4E (0.40) PTGS2BCDIN3DKDM4EALDH1A1SMN1; SMN2
SCHEMBL20333838 0.68 IDH1 (0.37) BCDIN3DHCRTR1
SCHEMBL19477571 0.68 KDM4E (0.39) PTGS2BCDIN3DKDM4EALDH1A1SMN1; SMN2
SCHEMBL20298638 0.68 DAO (0.45) —
SCHEMBL18372787 0.67 TRPV4 (0.39) BCDIN3DKDM4EALDH1A1HCRTR1
Hydrochloric Acid SCHEMBL30361735 0.67 KDM4E (0.38) PTGS2BCDIN3DKDM4EALDH1A1SMN1; SMN2

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-2022132803-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 — — WO disclosed
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