SCHEMBL6331273

SCHEMBL6331273

O=C(CCc1nc(-c2ccc3c(c2)CCO3)no1)N1CCN(Cc2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ TSHR P16473 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 6/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PARP1 P09874 3/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL6324019 0.86 MAPT (0.59) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6326044 0.84 MAPT (0.56) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6328312 0.83 PARP1 (0.46) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6327914 0.83 MAPT (0.56) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6324067 0.82 MAPT (0.72) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6334598 0.82 LMNA (0.62) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6328130 0.80 TSHR (0.68) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6325758 0.78 KMT2A (0.45) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL6327152 0.77 KMT2A (0.44) MAPTALDH1A1TSHRHTTPOLB
SCHEMBL5076377 0.77 KMT2A (0.44) MAPTALDH1A1TSHRHTTPOLB

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
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 — — US disclosed
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