SCHEMBL10488016

SCHEMBL10488016

O=C(O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.60
AKR1B1 P15121 1/20 0.60
MAPT P10636 6/20 0.55
TP53 P04637 3/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
APEX1 P27695 1/20 0.50
S1PR2 O95136 1/20 0.48

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
SCHEMBL10487970 0.91 AKR1A1 (0.57) AKR1A1AKR1B1MAPTTP53LMNA
SCHEMBL11269563 0.89 LMNA (0.62) AKR1A1AKR1B1MAPTLMNAALDH1A1
SCHEMBL10487985 0.89 AKR1B1 (0.72) AKR1A1AKR1B1MAPTTP53LMNA
SCHEMBL9047901 0.86 LMNA (0.52) AKR1A1AKR1B1MAPTTP53LMNA
SCHEMBL9047096 0.86 KMT2A (0.55) AKR1A1AKR1B1MAPTLMNAALDH1A1
SCHEMBL10487922 0.85 LMNA (0.61) MAPTTP53LMNAALDH1A1ALOX12
SCHEMBL10487926 0.84 MEN1 (0.61) MAPTTP53TSHRMEN1KMT2A
SCHEMBL10487989 0.82 MAPT (0.54) AKR1A1AKR1B1MAPTTP53ALDH1A1
SCHEMBL10487916 0.82 MAPT (0.65) AKR1A1AKR1B1MAPTTP53ALDH1A1
SCHEMBL10487883 0.81 HDAC1 (0.64) MAPTTP53ALDH1A1NPSR1MEN1

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