SCHEMBL7705489

SCHEMBL7705489

N#Cc1ccc(-c2ccc3cccc(O)c3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.57
PARP1 P09874 4/20 0.45
PARP2 Q9UGN5 1/20 0.45
METAP2 P50579 1/20 0.45
PLAU P00749 1/20 0.45
NCF1 P14598 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4D Q08499 2/20 0.43
MMP3 P08254 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL17174156 0.81 CYP11B2 (0.45) PARP1PARP2KDM4ESCN9AGAA
SCHEMBL29729655 0.80 PARP1 (0.58) SOS2PARP1METAP2PLAUNCF1
SCHEMBL564494 0.80 PARP1 (0.58) SOS2PARP1METAP2PLAUNCF1
SCHEMBL10049513 0.79 PLAU (0.58) SOS2PARP1METAP2PLAUNCF1
SCHEMBL6662996 0.79 METAP2 (0.49) SOS2PARP1METAP2PLAUNCF1
SCHEMBL30457867 0.78 PARP1 (0.57) SOS2PARP1METAP2PLAUNCF1
SCHEMBL29040612 0.78 PARP1 (0.57) SOS2PARP1METAP2PLAUNCF1
SCHEMBL6431677 0.78 PARP1 (0.57) SOS2PARP1METAP2PLAUNCF1
Lithium SCHEMBL17924084 0.78 PARP1 (0.57) SOS2PARP1METAP2PLAUNCF1
SCHEMBL29040616 0.78 PARP1 (0.57) SOS2PARP1METAP2PLAUNCF1

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-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 US disclosed