SCHEMBL9767941

SCHEMBL9767941

Nc1ccc(Oc2ccc(C(c3ccccc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.68
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NLRP3 Q96P20 1/20 0.55
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MITF O75030 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
NLRP1 Q9C000 1/20 0.52
NOD2 Q9HC29 1/20 0.52
MAOB P27338 2/20 0.48
TEAD4 Q15561 1/20 0.48
NCOA1 Q15788 1/20 0.47

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
SCHEMBL31409222 0.96 MAOA (0.75) MAOAALDH1A1TDP1TSHRCYP3A4
SCHEMBL311586 0.91 ALDH1A1 (0.70) MAOAALDH1A1TDP1TSHRCYP3A4
SCHEMBL5773589 0.89 LTA4H (0.55) MAOATSHRLTA4H
SCHEMBL25864476 0.87 LTA4H (0.60) MAOATSHRLTA4H
SCHEMBL13326419 0.87 LTA4H (0.60) MAOATSHRLTA4H
SCHEMBL133754 0.87 TSHR (0.53) MAOAALDH1A1TDP1TSHRCYP3A4
SCHEMBL3688628 0.87 TSHR (0.53) MAOAALDH1A1TDP1TSHRCYP3A4
SCHEMBL14426874 0.84 ALDH1A1 (0.53) MAOAALDH1A1TDP1TSHRCYP3A4
SCHEMBL554324 0.82 MAOA (1.00) MAOAALDH1A1TDP1TSHRCYP3A4
Diphenylether SCHEMBL28089995 0.82 MAOA (1.00) MAOAALDH1A1TDP1TSHRCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3167171-A None JP disclosed
JP-H03167171-A ETHER IMIDE COMPOUND MITSUBISHI PETROCHEM CO LTD 1991-07-19 JP disclosed