SCHEMBL10359472

SCHEMBL10359472

O=C1N=Nc2cccc(CO)c21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
APOBEC3G Q9HC16 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL25407017 0.85 CDK2 (0.32)
SCHEMBL29142120 0.78 DAO (0.36) GABRA1GABRB2
SCHEMBL30681830 0.73 BID (0.43) MMP2KDM4EMAPT
SCHEMBL23197979 0.71 APOBEC3G (0.48) PDK2APOBEC3GMMP2MMP3MMP9
SCHEMBL9669892 0.71 PTGER4 (0.44) MMP2MMP9KDM4ELMNATP53
SCHEMBL194707 0.69 ADORA2A (0.41) KDM4EMAPTTSHR
SCHEMBL2266147 0.69 CES1 (0.38) LMNATSHR
SCHEMBL30681832 0.69 HDAC4 (0.42) LMNAMAPT
SCHEMBL7584603 0.69 PDCD1 (0.43) PDK2APOBEC3GMMP2MMP3MMP9
SCHEMBL14661712 0.68 KEAP1 (0.47) PDK2KDM4ELMNAMAPTTSHR

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-0213091-B1 USE OF COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF CATARACT Testa, Michele (IT) 1990-10-24 EP disclosed