SCHEMBL10487808

SCHEMBL10487808

CCOC(=O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.60
AKR1A1 P14550 1/20 0.60
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 7/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL10487913 0.90 AKR1B1 (0.64) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL10487906 0.90 AKR1A1 (0.65) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL7860390 0.90 AKR1B1 (0.76) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL10487964 0.89 AKR1A1 (0.46) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL10487925 0.88 AKR1B1 (0.61) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL10487846 0.87 AKR1B1 (0.57) AKR1B1AKR1A1ALDH1A1MEN1KMT2A
SCHEMBL10487834 0.86 AKR1B1 (0.79) AKR1B1AKR1A1MEN1KMT2AMAPT
SCHEMBL10487923 0.86 AKR1B1 (0.59) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL9046143 0.86 AKR1A1 (0.59) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2
SCHEMBL10487889 0.85 AKR1B1 (0.52) AKR1B1AKR1A1ALDH1A1LMNASMN1; SMN2

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