SCHEMBL11294253

SCHEMBL11294253

Cn1c(O)cc(-c2ccccc2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.52
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSP90AA1 P07900 1/20 0.46
COMT P21964 2/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
BRD4 O60885 1/20 0.42
IDH1 O75874 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL12441468 0.80 HSD17B10 (0.47) GLO1HSD17B10L3MBTL1HSP90AA1COMT
SCHEMBL5913971 0.78 L3MBTL1 (0.50) GLO1HSD17B10L3MBTL1HSP90AA1BRD4
SCHEMBL11310589 0.78 KDM4E (0.49) GLO1L3MBTL1HSP90AA1IDH1ALDH1A1
SCHEMBL14063583 0.77 COMT (0.47) GLO1HSD17B10L3MBTL1HSP90AA1COMT
SCHEMBL7359280 0.73 ALDH1A1 (0.49) GLO1HSD17B10L3MBTL1COMTIDH1
SCHEMBL10726835 0.71 GLO1 (0.65) GLO1L3MBTL1HSP90AA1IDH1
SCHEMBL11424614 0.71 PTGS1 (0.44) HSD17B10L3MBTL1COMTHDAC4HDAC2
SCHEMBL8957061 0.70 IDH1 (0.37) HSP90AA1COMTIDH1ALDH1A1KMT2A
SCHEMBL10059749 0.69 SMN1; SMN2 (0.60) GLO1HSD17B10L3MBTL1HSP90AA1COMT
SCHEMBL10796031 0.69 CA12 (0.43) HSD17B10ALDH1A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013936-B1 REACTIVE AZO DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING MATERIALS CONTAINING HYDROXYL GROUPS AND AMIDE GROUPS BAYER AG (DE) 1982-09-22 EP disclosed
US-4299764-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-11-10 US disclosed
EP-0013936-A1 Reactive azo dyestuffs, their preparation and their use in dyeing materials containing hydroxyl groups and amide groups BAYER AG (DE) 1980-08-06 EP disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 US disclosed