SCHEMBL6334598

SCHEMBL6334598

Cc1ccc(-c2noc(CCC(=O)N3CCCN(Cc4n[nH]c(=O)c5ccccc45)CC3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 11/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MAPT P10636 9/20 0.55
▸ TSHR P16473 9/20 0.55
▸ HTT P42858 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPK1 P28482 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ATM Q13315 2/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PARP1 P09874 2/20 0.45

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
SCHEMBL6327914 0.94 MAPT (0.56) LMNAHPGDMAPTTSHRHTT
SCHEMBL6328130 0.92 TSHR (0.68) LMNAHPGDMAPTTSHRHTT
SCHEMBL6324019 0.90 MAPT (0.59) LMNAHPGDMAPTTSHRHTT
SCHEMBL6326044 0.89 MAPT (0.56) LMNAHPGDMAPTTSHRHTT
SCHEMBL6324067 0.88 MAPT (0.72) LMNAHPGDMAPTTSHRHTT
SCHEMBL6332641 0.84 PARP1 (0.47) LMNAHPGDMAPTTSHRHTT
SCHEMBL6331273 0.82 MAPT (0.48) LMNAHPGDMAPTTSHRHTT
SCHEMBL6328650 0.76 PARP1 (0.57) SMN1; SMN2PARP1
SCHEMBL6326417 0.72 TSHR (0.60) LMNAHPGDMAPTTSHRHTT
SCHEMBL6327432 0.71 MAPT (0.54) LMNAHPGDMAPTTSHRHTT

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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