SCHEMBL27861649

SCHEMBL27861649

O=C(O)c1ccc(Br)cc1COCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTGER4 P35408 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FDPS P14324 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ SLC1A3 P43003 1/20 0.43
▸ SLC1A2 P43004 1/20 0.43
▸ SLC1A1 P43005 1/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ CCR5 P51681 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL1377926 0.83 FDPS (0.61) KMT2AMEN1RXFP1KDM4ELMNA
SCHEMBL15100730 0.76 POLB (0.43) KDM4EHPGDSMN1; SMN2TDP1NR4A1
SCHEMBL8174893 0.76 PTGDR2 (0.49) KMT2AMEN1KDM4ETDP1AKR1B1
SCHEMBL9127513 0.75 MRGPRX4 (0.51) KMT2AMEN1KDM4ESMN1; SMN2NR4A2
SCHEMBL31012122 0.74 CYP1A2 (0.56) KMT2AMEN1HPGDTDP1SLC1A3
SCHEMBL4850585 0.74 CYP1A2 (0.56) KMT2AMEN1HPGDTDP1SLC1A3
SCHEMBL12149845 0.74 MEN1 (0.60) KMT2AMEN1KDM4ELMNAHPGD
Hydroxyamine SCHEMBL8924246 0.73 MEN1 (0.53) KMT2AMEN1HPGDTDP1SLC1A3
SCHEMBL1376902 0.73 PARP10 (0.56) KMT2AMEN1KDM4ELMNAFDPS
SCHEMBL4795474 0.72 TDP1 (0.61) KMT2AMEN1KDM4ELMNAHPGD

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-102186803-A Salicylic acid derivatives being farnesyl pyrophosphate synthase activity inhibitors NOVARTIS AG 2011-09-14 — — CN disclosed
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