SCHEMBL23399642

SCHEMBL23399642

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 2/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CCNA2 P20248 1/20 0.41

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
SCHEMBL23403034 1.00 SMN1; SMN2 (0.48) SMN1; SMN2POLBTDP1LMNATP53
SCHEMBL23400422 0.93 MAPK14 (0.40) SMN1; SMN2POLBTDP1LMNATP53
SCHEMBL17290362 0.92 TP53 (0.51) SMN1; SMN2POLBLMNATP53MAPT
SCHEMBL23401101 0.86 L3MBTL1 (0.42) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL23402260 0.84 NPC1 (0.43) SMN1; SMN2POLBLMNATP53L3MBTL1
SCHEMBL23402710 0.83 MAPT (0.42) SMN1; SMN2POLBTDP1LMNATP53
SCHEMBL23399683 0.83 CCNA2 (0.49) SMN1; SMN2TDP1LMNATP53MAPT
SCHEMBL23400965 0.83 CCNA2 (0.52) SMN1; SMN2TDP1MAPTALDH1A1MEN1
SCHEMBL23403434 0.83 CCNA2 (0.49) SMN1; SMN2TDP1LMNATP53MAPT
SCHEMBL23400859 0.83 CCNA2 (0.52) SMN1; SMN2TDP1MAPTALDH1A1MEN1

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