SCHEMBL23401149

SCHEMBL23401149

Cc1ccc(-c2nn(CC(C)C)c(O)c2CC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
FYN P06241 2/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.33
CACNA1B Q00975 1/20 0.33
GAA P10253 1/20 0.33
DPP9 Q86TI2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 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
SCHEMBL23400146 0.89 RAB9A (0.36) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23401963 0.87 CNR2 (0.41) FYNATMKMT2ANPSR1SMN1; SMN2
SCHEMBL23400775 0.86 ESR1 (0.42) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23400355 0.86 KMT2A (0.42) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23401941 0.85 GCGR (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23400629 0.84 GABRA1 (0.36) RAB9AKMT2ASMN1; SMN2DPP4POLB
SCHEMBL23399346 0.84 ESR1 (0.41) RAB9AATMKMT2ASMN1; SMN2MEN1
SCHEMBL23403146 0.84 RAB9A (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23402121 0.82 RAB9A (0.38) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23402815 0.82 RET (0.39) RAB9AATMKMT2ASMN1; SMN2DPP4

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