SCHEMBL28031133

SCHEMBL28031133

Cc1ccc2c(c1)c(OP(C)(=O)Oc1nc3ccccc3c3ccc(C)cc13)nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.45
▸ NQO2 P16083 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ KMT2A Q03164 5/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ IDO2 Q6ZQW0 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL28031690 0.90 NQO2 (0.42) GPR3NQO2MAOAKMT2ANPC1
SCHEMBL28031135 0.89 GPR3 (0.42) GPR3NQO2MAOAKMT2ANPC1
SCHEMBL28822264 0.86 GPR3 (0.50) GPR3NQO2MAOAKMT2AMAPT
SCHEMBL28031122 0.84 GPR3 (0.40) GPR3AHRLMNAHPGD
SCHEMBL28031748 0.84 GPR3 (0.40) GPR3KMT2ANPC1MAPTRAB9A
SCHEMBL28031120 0.83 KDM4E (0.46) NQO2KMT2ANPC1MAPTRAB9A
SCHEMBL28031743 0.81 MAT2A (0.40) GPR3KMT2ARAB9AMEN1LMNA
SCHEMBL28031664 0.80 KDM4E (0.40) GPR3KMT2ANPC1MAPTRAB9A
SCHEMBL28031691 0.79 KDM4E (0.41) NQO2MAOAKMT2ANPC1MAPT
SCHEMBL13966276 0.77 MAPT (0.48) GPR3NQO2MAOAKMT2ANPC1

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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