SCHEMBL25619105

SCHEMBL25619105

CCC(C)c1ncnn1CCOC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MLYCD O95822 1/20 0.32
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL15919047 0.73 KDM4E (0.30) ALDH1A1
SCHEMBL19219033 0.68 ADORA2A (0.32) —
SCHEMBL6330210 0.68 MPO (0.34) MAPK1MPOALDH1A1
SCHEMBL27496090 0.68 MPO (0.34) MAPK1MPOALDH1A1
SCHEMBL25745016 0.68 — —
SCHEMBL25446923 0.67 PDE1A (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL6340430 0.67 MAOB (0.33) MPOALDH1A1
SCHEMBL25625900 0.67 HTT (0.35) MAPK1
SCHEMBL24768869 0.67 — —
SCHEMBL25857845 0.66 KMT2A (0.34) MPOALDH1A1

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-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 — — WO disclosed
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