SCHEMBL23402121

SCHEMBL23402121

Cc1ccc(-c2nn(CC(C)C)c(O)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
FYN P06241 2/20 0.38
ATM Q13315 1/20 0.37
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
NPC1 O15118 1/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
CACNA1B Q00975 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL23403196 0.94 RAB9A (0.43) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23399567 0.94 RAB9A (0.43) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23401249 0.88 KMT2A (0.37) RAB9AFYNKMT2ANPSR1MEN1
SCHEMBL23402853 0.86 SMN1; SMN2 (0.41) FYNKMT2ANPSR1SMN1; SMN2MEN1
SCHEMBL23403672 0.86 HEXA (0.36) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL23403146 0.86 RAB9A (0.39) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23403349 0.84 RAB9A (0.37) RAB9AFYNATMKMT2ANPSR1
SCHEMBL23399382 0.84 GCGR (0.39) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL23401160 0.83 RAB9A (0.40) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL23399135 0.82 DPP4 (0.41) KDM4E

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