SCHEMBL13377604

SCHEMBL13377604

O=c1[nH]c2c(c3ccccc13)[C@H](O)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.47
PARP1 P09874 9/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TNKS O95271 2/20 0.38
PARP15 Q460N3 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GPR3 P46089 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PADI4 Q9UM07 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL13376141 1.00 SERPINE1 (0.47) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL14028594 1.00 SERPINE1 (0.47) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL2763287 1.00 SERPINE1 (0.47) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL13911518 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL14028585 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL14028600 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL2763503 0.81 SERPINE1 (0.40) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL2763106 0.77 GPR3 (0.47) SERPINE1PARP1KDM4EALDH1A1TNKS
SCHEMBL8907689 0.75 SERPINE1 (0.36) SERPINE1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2763720 0.74 SERPINE1 (0.35) SERPINE1PARP1KDM4EALDH1A1TNKS

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
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed