SCHEMBL10487995

SCHEMBL10487995

CCOC(=O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2cccc(OC)c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.47
AKR1B1 P15121 1/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 6/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
TNF P01375 1/20 0.43
LITAF Q99732 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10487911 0.89 AKR1B1 (0.59) AKR1A1AKR1B1TP53MAPTALDH1A1
SCHEMBL10487889 0.88 AKR1B1 (0.52) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL10487978 0.86 ALDH1A1 (0.47) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL10487846 0.84 AKR1B1 (0.57) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL10487925 0.83 AKR1B1 (0.61) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL10487913 0.82 AKR1B1 (0.64) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL10488005 0.81 AKR1A1 (0.52) AKR1A1AKR1B1TP53MAPTALDH1A1
SCHEMBL10487843 0.81 AKR1A1 (0.58) AKR1A1AKR1B1TP53MAPTTSHR
SCHEMBL9534320 0.80 MEN1 (0.60) AKR1A1AKR1B1TP53MAPTALDH1A1
SCHEMBL10488091 0.79 AKR1A1 (0.52) AKR1A1AKR1B1TP53MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 EP disclosed