SCHEMBL2127223

SCHEMBL2127223

CC(C(=O)O)n1ccc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
MTNR1A P48039 1/20 0.45
SLC22A12 Q96S37 10/20 0.44
CYP2C19 P33261 1/20 0.43
ENPP1 P22413 2/20 0.43
USP5 P45974 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ENPP3 O14638 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL598048 0.80 PARP1 (0.46) PARP1MTNR1ASLC22A12CYP2C19ENPP1
SCHEMBL8134942 0.77 PARP1 (0.44) PARP1MTNR1ASLC22A12CYP2C19ENPP1
SCHEMBL8135638 0.77 PARP1 (0.47) PARP1MTNR1ASLC22A12CYP2C19SLC22A6
SCHEMBL20181945 0.74 PARP1 (0.41) PARP1MTNR1ASLC22A12CYP2C19L3MBTL1
SCHEMBL31129863 0.74 USP5 (0.47) USP5ALDH1A1
SCHEMBL526316 0.73 NOTUM (0.49) CYP2C19L3MBTL1
SCHEMBL23938013 0.73 PARP1 (0.46) PARP1MTNR1ASLC22A12CYP2C19ENPP1
SCHEMBL30991276 0.73 PARP1 (0.46) PARP1MTNR1ASLC22A12CYP2C19ENPP1
SCHEMBL27518654 0.73 PARP1 (0.41) PARP1MTNR1ASLC22A12CYP2C19ENPP1
SCHEMBL1093566 0.73 PARP1 (0.42) PARP1MTNR1ASLC22A12CYP2C19ENPP1

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
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 EP disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed