SCHEMBL23401396

SCHEMBL23401396

CC(C)c1c(O)c(-c2ccccc2)nn1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
ESR1 P03372 1/20 0.41
MERTK Q12866 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 3/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
ABL1 P00519 2/20 0.37
HCK P08631 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
EPHB4 P54760 2/20 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
SCHEMBL23401036 0.85 EGFR (0.39) KMT2AESR1EGFRPIK3CDPIK3CB
SCHEMBL23400977 0.81 HTR2A (0.46) KMT2APDE1APDE1BPDE1CESR1
SCHEMBL23400993 0.81 PDE1A (0.49) KMT2APDE1APDE1BPDE1CESR1
SCHEMBL23398719 0.81 RECQL (0.50) KMT2ARECQLMAPTKDRKDM4E
SCHEMBL23401110 0.79 MEN1 (0.48) KMT2ARECQLEGFRSRCPTGS2
SCHEMBL23403569 0.78 RECQL (0.46) KMT2APDE1APDE1BPDE1CESR1
SCHEMBL23399033 0.78 ESR1 (0.42) KMT2APDE1APDE1BPDE1CESR1
SCHEMBL23400979 0.78 MEN1 (0.46) KMT2ARECQLL3MBTL1MAPTADORA3
SCHEMBL23402693 0.78 KDM4E (0.41) KMT2APDE1APDE1BPDE1CESR1
SCHEMBL23400079 0.76 PDE1A (0.47) KMT2APDE1APDE1BPDE1CESR1

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