SCHEMBL10488205

SCHEMBL10488205

O=c1[nH]c2c(Cl)cccc2c(=O)n1Cc1ccc(Br)cc1F

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 4/20 0.59
HSP90B1 P14625 3/20 0.59
HSP90AA1 P07900 2/20 0.59
OPRM1 P35372 4/20 0.55
CHRM5 P08912 1/20 0.50
DDR1 Q08345 2/20 0.48
AKR1B1 P15121 2/20 0.46
AKR1A1 P14550 1/20 0.46
PDE7A Q13946 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10488017 0.84 TRAP1 (0.51) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL10487948 0.82 ALDH1A1 (0.58) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL10487936 0.79 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL7752011 0.79 AKR1A1 (0.58) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL10487983 0.76 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL10487924 0.74 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1OPRM1DDR1
Acetic Acid SCHEMBL4363267 0.74 AKR1B1 (0.60) TRAP1HSP90B1HSP90AA1OPRM1DDR1
SCHEMBL16598653 0.73 ALDH1A1 (0.47) PDE7AMEN1KMT2AALDH1A1MAPT
SCHEMBL10488000 0.73 AKR1B1 (0.67) CHRM5AKR1B1AKR1A1MEN1CYP1A2
SCHEMBL10487908 0.73 DDR1 (0.58) TRAP1HSP90B1HSP90AA1DDR1

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