SCHEMBL10691712

SCHEMBL10691712

O=C(c1ccc(Cl)cc1)c1ccc2cnc(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 1/20 0.41
VNN1 O95497 2/20 0.40
CNR2 P34972 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ASAH1 Q13510 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TTR P02766 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL10691670 0.87 ALDH1A1 (0.48) SRD5A2MAPK1SMN1; SMN2CA12CA9
SCHEMBL8787024 0.79 PDE3B (0.45) PDE3BPDE3ACA12CA9MAPT
SCHEMBL9437730 0.75 PTPN1 (0.47) PDE3BPDE3AMAPTPOLB
SCHEMBL10693571 0.75 TTR (0.45) SRD5A2MAPK1SMN1; SMN2TTRCA12
SCHEMBL5518679 0.72 SRD5A2 (0.61) SRD5A2MAPK1CNR2SMN1; SMN2HTT
SCHEMBL10926839 0.72 CA9 (0.56) PDE3BPDE3ACA12CA9MAPT
SCHEMBL3922666 0.72 PDE3B (0.58) MAPK1PDE3BPDE3ASMN1; SMN2CA12
SCHEMBL9475353 0.70 SRD5A2 (0.59) SRD5A2MAPK1CNR2SMN1; SMN2HTT
SCHEMBL8967726 0.69 SRD5A2 (0.57) SRD5A2MAPK1CNR2SMN1; SMN2HTT
SCHEMBL9471701 0.68 TTR (0.57) SRD5A2MAPK1CNR2SMN1; SMN2TTR

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