SCHEMBL10488017

SCHEMBL10488017

COc1cccc2c(=O)n(Cc3ccc(Br)cc3F)c(=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90B1 P14625 2/20 0.51
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRNP P04156 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRA1B P35368 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
OPRM1 P35372 1/20 0.41
DDR1 Q08345 2/20 0.41
NQO2 P16083 1/20 0.40
MAPK8 P45983 1/20 0.40
AKR1B1 P15121 2/20 0.40
AKR1A1 P14550 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL10488205 0.84 TRAP1 (0.59) TRAP1HSP90AA1HSP90B1ALDH1A1MAPT
SCHEMBL10487948 0.79 ALDH1A1 (0.58) TRAP1HSP90AA1HSP90B1ALDH1A1SMN1; SMN2
SCHEMBL10487936 0.77 TRAP1 (0.55) TRAP1HSP90AA1HSP90B1ALDH1A1MAPT
SCHEMBL10487983 0.76 TRAP1 (0.52) TRAP1HSP90AA1HSP90B1ALDH1A1SMN1; SMN2
SCHEMBL10487911 0.75 AKR1B1 (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10487995 0.72 AKR1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7752011 0.72 AKR1A1 (0.58) TRAP1HSP90AA1HSP90B1ALDH1A1MEN1
SCHEMBL10487924 0.72 TRAP1 (0.53) TRAP1HSP90AA1HSP90B1ALDH1A1MAPT
SCHEMBL1260848 0.71 ADRA1B (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30394075 0.71 ADRA1B (0.48) ALDH1A1MAPTSMN1; SMN2PRNPMEN1

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