SCHEMBL23401720

SCHEMBL23401720

Cc1ccc(-c2c(O)c(-c3ccccc3)nn2CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FYN P06241 2/20 0.43
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 2/20 0.40
CNR2 P34972 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR1 P21554 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37

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 1.00 RAB9A (0.44) RAB9ATDP1FYNKMT2ANPSR1
SCHEMBL23398995 0.94 RAB9A (0.39) RAB9ATDP1FYNKMT2ANPSR1
SCHEMBL23398456 0.93 CNR2 (0.40) TDP1FYNKMT2ANPSR1MEN1
SCHEMBL23400207 0.88 ICMT (0.38) RAB9ATDP1FYNKMT2ANPSR1
SCHEMBL23403368 0.86 LMNA (0.41) RAB9ATDP1KMT2AMEN1NPC1
SCHEMBL23399116 0.84 CA1 (0.50) RAB9ATDP1KMT2AMEN1NPC1
SCHEMBL23399569 0.84 CA1 (0.50) RAB9ATDP1KMT2AMEN1NPC1
SCHEMBL23399175 0.84 FABP4 (0.37) RAB9ATDP1FYNKMT2AMEN1
SCHEMBL23398527 0.82 RAB9A (0.39) RAB9AFYNKMT2ANPSR1MEN1
SCHEMBL23402896 0.82 CNR2 (0.40) FYNKMT2ANPSR1MEN1CNR2

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