SCHEMBL10487906

SCHEMBL10487906

CCOC(=O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.65
AKR1B1 P15121 1/20 0.65
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
PARG Q86W56 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL9046143 0.96 AKR1A1 (0.59) AKR1A1AKR1B1ALDH1A1SMN1; SMN2PPARG
SCHEMBL7860390 0.93 AKR1B1 (0.76) AKR1A1AKR1B1ALDH1A1SMN1; SMN2PPARG
SCHEMBL10487808 0.90 AKR1B1 (0.60) AKR1A1AKR1B1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9046869 0.89 AKR1B1 (0.53) AKR1A1AKR1B1ALDH1A1SMN1; SMN2PPARG
SCHEMBL10488005 0.88 AKR1A1 (0.52) AKR1A1AKR1B1ALDH1A1POLBMEN1
SCHEMBL10487846 0.88 AKR1B1 (0.57) AKR1A1AKR1B1ALDH1A1NPSR1TSHR
SCHEMBL10487913 0.88 AKR1B1 (0.64) AKR1A1AKR1B1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10488007 0.86 AKR1B1 (0.85) AKR1A1AKR1B1MEN1KMT2A
SCHEMBL10487855 0.86 AKR1A1 (0.55) AKR1A1AKR1B1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL10487925 0.85 AKR1B1 (0.61) AKR1A1AKR1B1ALDH1A1SMN1; SMN2NPSR1

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