SCHEMBL23402249

SCHEMBL23402249

CCCn1nc(-c2ccc(C)cc2)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 6/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL23401724 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1HSD17B10GAA
SCHEMBL23400704 0.87 MEN1 (0.49) SMN1; SMN2KDM4EALDH1A1HSD17B10GAA
SCHEMBL23402684 0.85 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL23400166 0.83 TLR8 (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19710682 0.81 GAA (0.44) SMN1; SMN2KDM4EALDH1A1HSD17B10GAA
SCHEMBL23398865 0.79 MEN1 (0.46) SMN1; SMN2KDM4EALDH1A1HSD17B10GAA
SCHEMBL8892611 0.78 ESRRA (0.53) SMN1; SMN2KDM4EALDH1A1GAAMEN1
SCHEMBL23400340 0.76 NR1H3 (0.50) SMN1; SMN2ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23398927 0.75 RAB9A (0.42) SMN1; SMN2MEN1KMT2AMAPTTDP1
SCHEMBL23402054 0.75 TLR8 (0.48) SMN1; SMN2KDM4EALDH1A1L3MBTL1TP53

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