SCHEMBL12325499

SCHEMBL12325499

Cc1cc(C)c2c(=O)cc(CF)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PON1 P27169 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 7/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL12325497 0.73 ALDH1A1 (0.59) KMT2ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL12325513 0.72 POLB (0.43) KMT2AKDM4EMEN1CSNK2A2CSNK2B
SCHEMBL13598259 0.70 CSNK2A2 (0.51) KMT2ARAB9AKDM4EPON1MAPK1
SCHEMBL12325507 0.70 MAPT (0.54) RAB9AKDM4EMAPK1CSNK2A2CSNK2B
SCHEMBL12324856 0.69 ABCB1 (0.58) KMT2ARAB9AKDM4EMEN1MAPT
4,5,7-Trimethyl-2H-Chromen-2-One SCHEMBL18096558 0.69 KDM4E (0.66) KMT2ARAB9AKDM4EPON1MAPK1
SCHEMBL28568538 0.68 CYP3A4 (0.72) KMT2ARAB9AKDM4EMAPK1MEN1
SCHEMBL12325496 0.68 ALOX15 (0.43) KMT2AKDM4EMEN1CSNK2A2CSNK2B
SCHEMBL12325501 0.68 CSNK2A2 (0.44) KMT2ARAB9AMAPK1MEN1CSNK2A2
SCHEMBL12325514 0.67 KDM4E (0.49) KDM4EMAPK1ATMCSNK2A2CSNK2B

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-2368895-A1 Ferrocenyl flavonoids Centre National de la Recherche Scientifique (CNRS) (FR) 2011-09-28 — — EP disclosed
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