SCHEMBL10692962

SCHEMBL10692962

CN1Oc2cc(C(=O)c3ccccc3)ccc2CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.45
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
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
PDE5A O76074 1/20 0.39
SRD5A2 P31213 1/20 0.38
ELANE P08246 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
SCHEMBL10691134 0.88 MAPK1 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTTDP1
SCHEMBL7356037 0.74 MAOA (0.43) ALDH1A1RAB9AHPGDMAPTTDP1
SCHEMBL10693858 0.73 RAB9A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2GLA
SCHEMBL10692566 0.72 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2GLA
SCHEMBL10738804 0.71 ALDH1A1 (0.44) ALDH1A1NPC1SMN1; SMN2GLAHPGD
SCHEMBL9666427 0.70 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2GLA
SCHEMBL14565102 0.70 CYP11B2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2GLA
SCHEMBL10736621 0.70 SMN1; SMN2 (0.43) ALDH1A1RAB9ASMN1; SMN2GLAHPGD
SCHEMBL4304620 0.69 NOTUM (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2GLA
SCHEMBL10848994 0.68 PDE5A (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2GLA

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