SCHEMBL23398666

SCHEMBL23398666

Cc1cccc(-c2cn(C)nc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.47
RPS6KA3 P51812 1/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
BRAF P15056 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL15344193 0.84 JMJD6 (0.45) JMJD6RAB9ANPC1KMT2AKDM4E
SCHEMBL23399488 0.82 TLR8 (0.43) JMJD6RPS6KA3CNR2CNR1KDM4E
SCHEMBL23399958 0.81 CNR2 (0.43) RPS6KA3CNR2CNR1RAB9ANPC1
SCHEMBL23401652 0.81 ALDH1A1 (0.44) RPS6KA3CNR2CNR1RAB9ANPC1
SCHEMBL23400377 0.81 TRPM8 (0.43) JMJD6RPS6KA3CNR2CNR1RAB9A
SCHEMBL23402979 0.81 AKR1C3 (0.41) RPS6KA3CNR2CNR1RAB9ANPC1
SCHEMBL23402507 0.81 TLR8 (0.45) JMJD6CNR2KDM4ETRPM8
SCHEMBL23400188 0.80 HPGD (0.46) CNR2CNR1RAB9ANPC1KMT2A
SCHEMBL23402722 0.80 ALDH1A1 (0.48) CNR2CNR1RAB9ANPC1BRAF
SCHEMBL19207137 0.80 PIN1 (0.49) JMJD6CNR2KMT2AKDM4EALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed