SCHEMBL10691664

SCHEMBL10691664

O=C1Cc2ccc(C(=O)c3ccccc3)cc2ON1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP2 O95551 3/20 0.40
SRD5A2 P31213 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PBRM1 Q86U86 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
Benzophenone SCHEMBL27794515 0.88 ALDH1A1 (0.48) ALDH1A1AKR1C3AKR1C2AKR1C1RAB9A
SCHEMBL10691708 0.87 SRD5A2 (0.40) ALDH1A1AKR1C3AKR1C2AKR1C1RAB9A
SCHEMBL7349547 0.81 MAPT (0.49) RAB9ANPC1MAPTTDP2HPGD
SCHEMBL9437729 0.77 PTPN1 (0.40) ALDH1A1MAPTTDP2HPGD
SCHEMBL7348992 0.77 ATM (0.50) ALDH1A1MAPTATML3MBTL1TDP2
Benzene SCHEMBL27714049 0.76 MAOA (0.46) NPC1TDP2SMN1; SMN2
Carbamic Acid SCHEMBL15477883 0.75 MAOA (0.39) ALDH1A1AKR1C3AKR1C2AKR1C1MAPT
SCHEMBL7679044 0.75 SMYD3 (0.53) ALDH1A1AKR1C3AKR1C2AKR1C1ATM
SCHEMBL29408741 0.74 MAOA (0.48) NPC1NPSR1TDP2SMN1; SMN2
SCHEMBL6937 0.74 MAOA (0.48) NPC1NPSR1TDP2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed