SCHEMBL23403201

SCHEMBL23403201

Cc1ccc(-c2nn(C)c(-c3cccc(C)c3)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP2 O95551 1/20 0.39
TGFBR2 P37173 1/20 0.39
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
HSD17B2 P37059 1/20 0.38
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 1/20 0.36
PRMT5 O14744 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
SCHEMBL23400259 0.92 KMT2A (0.42) TGFBR1SMN1; SMN2L3MBTL1POLBMEN1
SCHEMBL23401342 0.86 TDP1 (0.51) SMN1; SMN2TDP1L3MBTL1POLBMEN1
SCHEMBL23400590 0.86 TDP1 (0.51) SMN1; SMN2TDP1L3MBTL1POLBMEN1
SCHEMBL23400489 0.85 SMN1; SMN2 (0.40) SMN1; SMN2TDP1L3MBTL1POLBMEN1
SCHEMBL23399546 0.85 ESR1 (0.47) TGFBR1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL23400633 0.84 L3MBTL1 (0.44) TGFBR1SMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL23399208 0.84 KMT2A (0.50) TGFBR1SMN1; SMN2TDP1L3MBTL1MEN1
SCHEMBL23402301 0.83 SRC (0.44) TGFBR1TDP1L3MBTL1POLBMEN1
SCHEMBL23399101 0.83 RIPK2 (0.49) TGFBR1TDP1L3MBTL1MEN1KMT2A
SCHEMBL23403431 0.83 TGFBR1 (0.42) TGFBR1SMN1; SMN2L3MBTL1TDP2TGFBR2

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