SCHEMBL4964883

SCHEMBL4964883

O=C1C(c2cccc(Cl)c2)c2ccccc2N1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.40
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL8590584 0.76 KDM4E (0.43) GAASLC9A1L3MBTL1ALDH1A1HPGD
SCHEMBL23959122 0.73 OPRK1 (0.43) GSK3BHTR2BTSHR
SCHEMBL14939598 0.68 RAB9A (0.63) SLC6A3MAPTGAAL3MBTL1HTR2B
SCHEMBL16634786 0.68 MAPT (0.49) SLC6A3MAPTGAAALDH1A1HPGD
SCHEMBL6288724 0.67 LMNA (0.39) MAPTGAAGSK3BHTR2BALDH1A1
SCHEMBL29462691 0.66 SLC6A3 (0.38) SLC6A3FFAR1
SCHEMBL28737258 0.66 SLC6A3 (0.38) SLC6A3FFAR1
Hydrochloric Acid SCHEMBL9138618 0.66 MGLL (0.46) MAPTGAAL3MBTL1ALDH1A1HPGD
SCHEMBL23959045 0.66 RAB9A (0.46) SLC6A3MAPTGAAGSK3BL3MBTL1
SCHEMBL27934086 0.65 LMNA (0.47) SLC6A3MAPTGAASLC9A1HTR2A

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
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 — — EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 — — WO disclosed
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