SCHEMBL13639779

SCHEMBL13639779

COONc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ GAA P10253 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADRA2B P18089 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HDAC1 Q13547 6/20 0.41

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
SCHEMBL2356967 0.82 MAPT (0.48) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL7944445 0.76 MAPT (0.46) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL28685256 0.72 MAPT (0.44) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL11699661 0.72 ALDH1A1 (0.45) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL26803231 0.70 MAPT (0.43) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL8622333 0.70 MAPT (0.48) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL28957585 0.70 MAPT (0.43) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL25502829 0.69 HDAC1 (0.46) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL27841531 0.69 CYP1A2 (0.43) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL29386059 0.69 — —

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-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 — — EP disclosed
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