SCHEMBL23398687

SCHEMBL23398687

CCc1cc(=O)n(-c2ccccc2C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.40
MGLL Q99685 1/20 0.40
NOX4 Q9NPH5 1/20 0.39
CTSA P10619 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL23400768 0.88 KDM4E (0.52) KDM4EALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL23400624 0.85 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL23399035 0.83 KDM4E (0.43) KDM4EALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL11531529 0.81 KDM4E (0.41) KDM4EALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL5527948 0.80 MAPT (0.70) KDM4EALDH1A1MAPTSMN1; SMN2MGLL
SCHEMBL486186 0.78 TSHR (0.61) KDM4EALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL23400261 0.74 NOX4 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL23399310 0.74 ALDH1A1 (0.64) KDM4EALDH1A1MAPTSMN1; SMN2MGLL
SCHEMBL23402279 0.74 MAPT (0.46) KDM4EALDH1A1MAPTSMN1; SMN2ELANE
SCHEMBL23402031 0.74 MAPT (0.46) KDM4EALDH1A1MAPTSMN1; SMN2TSHR

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