SCHEMBL6326328

SCHEMBL6326328

O=C(NCCNCc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.58
▸ LMNA P02545 4/20 0.52
▸ KMT2A Q03164 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ PARP1 P09874 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 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
SCHEMBL6332757 0.81 SMN1; SMN2 (0.54) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL6340069 0.79 BRD4 (0.75) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL6323777 0.74 KDM4E (0.56) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL5160111 0.74 MAPT (0.75) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL6326092 0.73 MAPT (0.61) LMNAKMT2AKDM4EPOLBPARP1
SCHEMBL13858810 0.72 KDM4E (0.66) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL17444768 0.71 AR (0.64) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL4713932 0.71 SMN1; SMN2 (0.61) BRD4TDP1LMNAKMT2AKDM4E
SCHEMBL9584535 0.71 CYP1A2 (0.78) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL1789242 0.69 LMNA (1.00) LMNAKMT2AKDM4EPARP1MEN1

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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