SCHEMBL6326092

SCHEMBL6326092

O=c1[nH]nc(CNCCNc2ccccc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ AR P10275 7/20 0.52
▸ PARP1 P09874 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ PRMT5 O14744 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ POLB P06746 2/20 0.50

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
SCHEMBL5165966 0.87 MAPT (0.78) MAPTKMT2AGAAHTTKDM4E
SCHEMBL6334585 0.81 PRMT5 (0.64) MAPTKMT2AGAAHTTKDM4E
SCHEMBL6332757 0.78 SMN1; SMN2 (0.54) MAPTKMT2AGAAHTTKDM4E
SCHEMBL5160240 0.76 MAPT (1.00) MAPTKMT2AGAAHTTKDM4E
SCHEMBL5160111 0.76 MAPT (0.75) MAPTKMT2AGAAHTTKDM4E
SCHEMBL5164835 0.76 MAPT (0.77) MAPTKMT2AGAAHTTKDM4E
SCHEMBL6323777 0.74 KDM4E (0.56) MAPTKMT2AGAAHTTKDM4E
SCHEMBL6434113 0.74 PRMT5 (0.54) MAPTKMT2AGAAHTTKDM4E
SCHEMBL13858810 0.74 KDM4E (0.66) MAPTKMT2AGAAHTTKDM4E
SCHEMBL5161752 0.73 MAPT (1.00) MAPTKMT2AGAAHTTKDM4E

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
Send feedback