SCHEMBL9379043

SCHEMBL9379043

COC(=O)CCCCc1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.42
G6PD P11413 1/20 0.42
HPGD P15428 2/20 0.42
PARP1 P09874 3/20 0.41
PARP2 Q9UGN5 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
LMNA P02545 1/20 0.39
GBA1 P04062 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL19503489 0.92 MAPT (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL1424370 0.80 PARP1 (0.55) PARP1
SCHEMBL29040046 0.80 PARP1 (0.62) MAPTKDM4ESMN1; SMN2TP53G6PD
SCHEMBL29040009 0.80 PARP1 (0.62) MAPTKDM4ESMN1; SMN2TP53G6PD
SCHEMBL29769683 0.79 PARP1 (0.59) KDM4EHSD17B10PARP1
SCHEMBL15722032 0.79 PARP1 (0.59) KDM4EHSD17B10PARP1
SCHEMBL19475394 0.79 POLB (0.44) KDM4EPARP1PARP2
SCHEMBL24415021 0.78 PDE10A (0.40) KDM4EPARP1PARP2LMNA
SCHEMBL14644025 0.78 LMNA (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL10123198 0.78 POLB (0.45) KDM4EPARP1PARP2

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-0329073-B1 2-Substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO (JP) 1994-12-28 EP disclosed