SCHEMBL10693858

SCHEMBL10693858

C[N+]1(C)Oc2cc(C(=O)c3ccccc3)ccc2CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 6/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 5/20 0.39
SRD5A2 P31213 2/20 0.38
POLB P06746 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL10688445 0.74 MAOA (0.43) ALDH1A1CYP1A2
SCHEMBL10692962 0.73 ALDH1A1 (0.46) RAB9ANPC1NPSR1MAPTALDH1A1
SCHEMBL2188139 0.68 SRD5A2 (0.66) RAB9ANPC1MAPTALDH1A1ATM
SCHEMBL30738988 0.68 SRD5A2 (0.66) RAB9ANPC1MAPTALDH1A1ATM
SCHEMBL2186803 0.68 SRD5A2 (0.66) RAB9ANPC1MAPTALDH1A1ATM
SCHEMBL28779200 0.67 MAOA (0.59) RAB9ANPC1NPSR1MAPTALDH1A1
SCHEMBL6132031 0.65 NPSR1 (0.90) RAB9ANPC1NPSR1MAPTALDH1A1
SCHEMBL7816239 0.65 SRD5A2 (0.81) RAB9ANPC1NPSR1MAPTALDH1A1
SCHEMBL26499247 0.65 NPSR1 (0.90) RAB9ANPC1NPSR1MAPTALDH1A1
Benzophenone SCHEMBL28148992 0.65 MAOA (0.65) RAB9ANPC1NPSR1MAPTALDH1A1

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