SCHEMBL23398995

SCHEMBL23398995

Cc1ccc(-c2nn(CC(C)C)c(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
FYN P06241 2/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 4/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.34
CACNA1B Q00975 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL23401771 0.94 RAB9A (0.44) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23401720 0.94 RAB9A (0.44) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23400207 0.88 ICMT (0.38) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23398527 0.88 RAB9A (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23402795 0.86 PGR (0.38) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL23398456 0.86 CNR2 (0.40) FYNATMKMT2ANPSR1SMN1; SMN2
SCHEMBL23402628 0.85 RAB9A (0.37) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23400277 0.85 FYN (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23399725 0.84 FYN (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23399368 0.82 MAPT (0.42) RAB9AATMKMT2ANPSR1SMN1; 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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed