SCHEMBL28031120

SCHEMBL28031120

COc1ccc2c(c1)c(OP(C)(=O)Oc1nc3ccccc3c3ccc(OC)cc13)nc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ VDR P11473 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ NR1I3 Q14994 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ACACA Q13085 1/20 0.41

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
SCHEMBL28031125 0.90 KDM4E (0.44) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL28822264 0.84 GPR3 (0.50) KDM4EKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL28031133 0.83 GPR3 (0.45) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL28031122 0.82 GPR3 (0.40) LMNASMN1; SMN2CYP1A2CYP3A4VDR
SCHEMBL28031748 0.82 GPR3 (0.40) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28031743 0.79 MAT2A (0.40) MEN1KMT2ALMNARAB9A
SCHEMBL28031664 0.78 KDM4E (0.40) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL29156683 0.76 MAPT (0.45) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL5211858 0.75 GPR3 (0.61) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL30659911 0.75 GPR3 (0.61) KDM4EMEN1KMT2ALMNAALDH1A1

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
CN-104844651-A Method for preparing six fluorine phosphonic acid ester base fe organism derivatives UNIV LUOYANG NORMAL 2015-08-19 — — CN disclosed
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