SCHEMBL23400698

SCHEMBL23400698

Cc1ccc(-n2nc(-c3ccccc3)c(CC(C)C)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL23398601 0.95 KMT2A (0.44) SMN1; SMN2POLBKMT2AMEN1CCNA2
SCHEMBL23402518 0.93 KMT2A (0.44) SMN1; SMN2POLBKMT2AMEN1CCNA2
SCHEMBL23398586 0.92 KMT2A (0.44) SMN1; SMN2KMT2AMEN1CCNA2CDK2
SCHEMBL23402784 0.89 L3MBTL1 (0.45) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL23401705 0.86 CA1 (0.46) KMT2AMEN1TP53RXFP1
SCHEMBL23399798 0.86 RPA1 (0.45) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL23399877 0.86 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL23400994 0.85 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2AMEN1CCNA2
SCHEMBL23402501 0.85 DCTPP1 (0.39) SMN1; SMN2POLBKMT2AMEN1CCNA2
SCHEMBL23401043 0.83 KMT2A (0.54) SMN1; SMN2POLBKMT2AMEN1CCNA2

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