SCHEMBL23403196

SCHEMBL23403196

Cc1ccc(-c2c(-c3ccccc3)nn(CC(C)C)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
FYN P06241 2/20 0.42
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTGIR P43119 1/20 0.37
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL23399567 1.00 RAB9A (0.43) RAB9AFYNKMT2ANPSR1TDP1
SCHEMBL23402121 0.94 RAB9A (0.38) RAB9AFYNKMT2ANPSR1MEN1
SCHEMBL23402853 0.93 SMN1; SMN2 (0.41) FYNKMT2ANPSR1MEN1CNR2
SCHEMBL23401249 0.88 KMT2A (0.37) RAB9AFYNKMT2ANPSR1MEN1
SCHEMBL23399593 0.87 ALDH1A1 (0.39) RAB9AKMT2ANPSR1TDP1MEN1
SCHEMBL23398659 0.85 SMN1; SMN2 (0.48) RAB9AKMT2ATDP1MEN1NPC1
SCHEMBL23402116 0.85 SMN1; SMN2 (0.48) RAB9AKMT2ATDP1MEN1NPC1
SCHEMBL23401193 0.83 ALDH1A1 (0.36) RAB9AKMT2AMEN1NPC1MAPT
SCHEMBL23401922 0.82 ESR1 (0.49) RAB9AKMT2ATDP1MEN1NPC1
SCHEMBL23403672 0.81 HEXA (0.36) RAB9AKMT2AMEN1NPC1POLB

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