SCHEMBL22681561

SCHEMBL22681561

Cc1c(F)cccc1-c1ccc2c(c1)OCCC2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 6/20 0.47
▸ PDCD1 Q15116 4/20 0.44
▸ KDM4C Q9H3R0 2/20 0.42
▸ APP P05067 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ KCNH2 Q12809 2/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL22681677 0.84 CD274 (0.44) CD274PDCD1KDM4CAPPBACE1
SCHEMBL22681889 0.80 CD274 (0.42) CD274PDCD1KDM4CKCNH2CTNNB1
SCHEMBL22681857 0.77 KDM4C (0.41) CD274KDM4CAPPBACE1KCNH2
SCHEMBL15839863 0.76 TAAR1 (0.42) KDM4CKCNH2
SCHEMBL22681574 0.76 KCNH2 (0.43) CD274KDM4CKCNH2CTNNB1WNT3A
SCHEMBL19018409 0.74 KCNH2 (0.35) CD274PDCD1KCNH2
SCHEMBL22681721 0.74 MEN1 (0.44) CD274PDCD1KDM4CAPPKCNH2
SCHEMBL22681646 0.74 AXL (0.47) CD274PDCD1KDM4CKCNH2
SCHEMBL22681657 0.74 CTNNB1 (0.45) KDM4CBACE1KCNH2CTNNB1WNT3A
SCHEMBL22682013 0.74 CTNNB1 (0.53) KDM4CKCNH2CTNNB1WNT3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 — — EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 — — EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 — — EP disclosed
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