SCHEMBL6473156

SCHEMBL6473156

O=c1[nH]nc(NCCCNc2ccccc2)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.45
GRM4 Q14833 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
METAP1 P53582 1/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 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
SCHEMBL5076368 0.85 PARP1 (0.45) PARP1KAT2B
SCHEMBL6327259 0.82 MTNR1A (0.44) PARP1ALDH1A1L3MBTL1AURKBKAT2B
SCHEMBL6323949 0.80 ALDH1A1 (0.44) PARP1ALDH1A1KDM4EGAARECQL
SCHEMBL5076362 0.78 PARP1 (0.45) PARP1ALDH1A1KDM4EAURKBKAT2B
SCHEMBL6326353 0.76 EPHX2 (0.41) AURKBSMN1; SMN2
SCHEMBL6448886 0.74 SYK (0.44) PARP1
SCHEMBL5077387 0.73 KAT2B (0.35) PARP1MAPTALDH1A1KDM4EKMT2A
SCHEMBL6328281 0.73 GAA (0.49) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL5074298 0.71 MEN1 (0.35) PARP1KMT2AMEN1AURKB
SCHEMBL6334650 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1GAARECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed