SCHEMBL9709019

SCHEMBL9709019

O=c1c2ccccc2[nH]c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GLA P06280 2/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
ATM Q13315 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PARP1 P09874 4/20 0.58
AURKA O14965 1/20 0.58
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49

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
SCHEMBL31453747 1.00 GAA (0.61) GAAKDM4EALDH1A1GLAHTT
SCHEMBL31453748 1.00 GAA (0.61) GAAKDM4EALDH1A1GLAHTT
SCHEMBL15133530 0.85 CDK4 (0.52) GAAKDM4EALDH1A1GLAHTT
SCHEMBL29410201 0.84 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL29559082 0.84 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL9145 0.84 PARP1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
Formaldehyde SCHEMBL28560487 0.83 PARP1 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL13747900 0.82 PARP1 (0.47) GAAKDM4EALDH1A1GLAHTT
Carbazole SCHEMBL143086 0.82 ALDH1A1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2PARP1
Hydrochloric Acid SCHEMBL2770160 0.82 PARP1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116528-A1 SYMMETRICAL ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116520-A1 PHENYLETHER-SUBSTITUTED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116525-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116487-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116527-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116518-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116521-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116524-A2 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
WO-2016116530-A1 COMPOSITIONS, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed
EP-3048156-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-3048155-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS cynora GmbH (DE) 2016-07-27 EP disclosed
EP-0471516-A1 Tricyclic heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-19 EP disclosed