SCHEMBL13752829

SCHEMBL13752829

COC(=O)c1c(-c2ccccc2)ccnc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA5 P31644 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
PRKCZ Q05513 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PTGS1 P23219 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44

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
SCHEMBL22090412 0.83 TDP1 (0.42) HTTALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL9181608 0.83 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9180424 0.82 ALDH1A1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL8324549 0.82 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL3519072 0.82 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL9179968 0.78 SMN1; SMN2 (0.53) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL8802417 0.78 ALDH1A1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL13228930 0.78 HTT (0.62) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6904185 0.76 ALDH1A1 (0.44) HTTALDH1A1TDP1RAB9A
SCHEMBL2527155 0.76 KDM4E (0.42) MEN1KMT2AALDH1A1HPGDTDP1

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-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed