SCHEMBL10433595

SCHEMBL10433595

O=Nc1c(O)c(I)cc2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 5/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAOA P21397 5/20 0.43
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ BIRC5 O15392 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TTR P02766 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 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
SCHEMBL3133239 0.76 MAOA (0.49) MAOAMGAMGAASIMGAM2
SCHEMBL19097592 0.72 MAOA (0.43) EYA3CYP2C19MAOAMGAMGAA
SCHEMBL29438952 0.72 MAOA (0.43) EYA3CYP2C19MAOAMGAMGAA
SCHEMBL10585582 0.71 HSP90AA1 (0.53) CYP2C19GAAMEN1LMNAKMT2A
SCHEMBL9089870 0.71 MAOA (0.39) CYP2C19MAOAMGAMGAASI
SCHEMBL3119696 0.70 MAOA (0.46) EYA3CYP2C19MAOAMGAMGAA
SCHEMBL3133235 0.70 MAOA (0.45) CYP2C19MAOAMGAMGAASI
SCHEMBL26080846 0.69 MAOA (0.41) EYA3CYP2C19MAOAMGAMGAA
SCHEMBL7866030 0.69 HSP90AA1 (0.48) EYA3CYP2C19MAOACYP2C9MEN1
SCHEMBL6695228 0.68 KDM4E (0.59) CYP2C19MAOACYP2C9MEN1ABCB11

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-0358774-A1 NOVEL SPIROOXAZINE COMPOUNDS TORAY INDUSTRIES, INC. (JP) 1990-03-21 — — EP disclosed
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