SCHEMBL4540045

SCHEMBL4540045

O=C(O)c1cccn1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NAPRT Q6XQN6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL4787559 0.84 POLB (0.61) L3MBTL1POLBAPEX1TDP1KDM4E
SCHEMBL4538594 0.80 BDKRB1 (0.44) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4960652 0.79 POLB (0.47) L3MBTL1POLBAPEX1TDP1ALDH1A1
SCHEMBL7630480 0.78 RECQL (0.57) L3MBTL1POLBAPEX1TDP1SMN1; SMN2
SCHEMBL6052408 0.78 TDP1 (0.50) L3MBTL1POLBAPEX1TDP1KDM4E
SCHEMBL20917138 0.78 POLB (0.50) L3MBTL1POLBAPEX1TDP1SMN1; SMN2
SCHEMBL15058294 0.78 POLB (0.50) L3MBTL1POLBAPEX1TDP1SMN1; SMN2
SCHEMBL25233228 0.77 RIPK3 (0.45) L3MBTL1POLBAPEX1TDP1NAPRT
SCHEMBL25778558 0.76 L3MBTL1 (0.51) L3MBTL1POLBAPEX1TDP1NAPRT
SCHEMBL29797890 0.75 L3MBTL1 (0.41) L3MBTL1POLBAPEX1TDP1CYP1A2

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed