SCHEMBL8621967

SCHEMBL8621967

Cc1nc2ccccc2c(=O)[nH]1.[Na]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.96
TNKS2 Q9H2K2 4/20 0.96
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
USP2 O75604 1/20 0.64
GLA P06280 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TYMS P04818 1/20 0.60
QTRT1 Q9BXR0 1/20 0.59
TNKS O95271 2/20 0.58
IP6K1 Q92551 1/20 0.58
KMT2A Q03164 2/20 0.57
ACVR1 Q04771 1/20 0.57
MEN1 O00255 1/20 0.56
PKM P14618 1/20 0.54

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
SCHEMBL47352 0.98 PARP1 (1.00) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL8621956 0.96 PARP1 (0.96) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL21968820 0.90 PARP1 (0.83) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL11546086 0.78 KDM4E (1.00) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL6695759 0.78 TNKS2 (0.81) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL29535139 0.76 KDM4E (0.66) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL7263029 0.76 KDM4E (0.66) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL17460813 0.76 PARP1 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL30704851 0.76 PARP1 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT
SCHEMBL5199045 0.75 TNKS2 (0.62) PARP1TNKS2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830909-A DIETETICS AMERICAN CYANAMID COMPANY (US) 1998-11-03 US claimed
US-5830909-A DIETETICS AMERICAN CYANAMID COMPANY (US) 1998-11-03 US disclosed