SCHEMBL6829039

SCHEMBL6829039

COC(=O)CCn1c(Cl)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 3/20 0.52
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 1/20 0.51
CTNNB1 P35222 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 2/20 0.48
DRD2 P14416 2/20 0.47
TBXA2R P21731 2/20 0.47
NOD1 Q9Y239 1/20 0.47
PIN1 Q13526 1/20 0.47
KMT2A Q03164 2/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL6506620 0.99 KDM4E (0.52) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL8268180 0.86 KDM4E (0.67) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL14616345 0.84 ALDH1A1 (0.58) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL5884114 0.81 HPGD (0.65) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL6507988 0.79 CTNNB1 (0.47) KDM4EALDH1A1CTNNB1SMN1; SMN2PIN1
SCHEMBL9530643 0.78 KDM4E (0.62) KDM4ELMNANPC1SMN1; SMN2
SCHEMBL6139297 0.76 LMNA (0.56) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL11632515 0.76 LMNA (0.64) KDM4ELMNASMN1; SMN2NOD1KMT2A
SCHEMBL11268441 0.76 POLB (0.65) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL3337960 0.76 TNF (0.55) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A

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-2004108723-A1 4,5-DIHYDRO-IMIDAZO[4,5,1-II]QUINOLIN-6-ONES AS PARP INHIBITORS ALTANA PHARMA AG (DE) 2004-12-16 WO disclosed