SCHEMBL28597906

SCHEMBL28597906

COc1ccc2c(c1)NC(=O)C2.Cc1cc(C)c(C(=O)O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.50
EPHX2 P34913 1/20 0.44
SRC P12931 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
CRBN Q96SW2 1/20 0.39
TDP2 O95551 1/20 0.39
CMA1 P23946 2/20 0.39
AHR P35869 2/20 0.39
KDR P35968 4/20 0.39
RET P07949 1/20 0.38
PLK1 P53350 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
INSR P06213 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL28607435 0.91 PDE3B (0.46) EIF2AK2EPHX2SRCPDE3BPDE3A
SCHEMBL29016211 0.82 CRBN (0.53) EIF2AK2CRBNTDP2CMA1AHR
SCHEMBL153506 0.81 EIF2AK2 (0.74) EIF2AK2EPHX2SRCPDE3BPDE3A
SCHEMBL29016221 0.76 AHR (0.47) EPHX2PDE3BPDE3ACRBNTDP2
SCHEMBL3155781 0.71 EIF2AK2 (0.68) EIF2AK2EPHX2SRCPDE3BPDE3A
SCHEMBL4019289 0.71 EIF2AK2 (0.63) EIF2AK2EPHX2SRCPDE3BPDE3A
SCHEMBL3151429 0.71 EIF2AK2 (0.62) EIF2AK2EPHX2SRCPDE3BPDE3A
SCHEMBL29853437 0.70 PDE3B (0.59) EIF2AK2SRCPDE3BPDE3AALDH1A1
SCHEMBL26767523 0.70 PDE3B (0.59) EIF2AK2SRCPDE3BPDE3AALDH1A1
SCHEMBL1044787 0.70 NOTUM (0.41) ALDH1A1KDM4EHPGDHSD17B10GPR17

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed