SCHEMBL23969212

SCHEMBL23969212

C=C(CC)c1ccc(C)cc1CCCCCNC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
PLK1 P53350 6/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK3 Q9H4B4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
AMY1A P0DUB6 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL22176523 0.89 SIGMAR1 (0.37) SIGMAR1L3MBTL4L3MBTL3L3MBTL1PLK1
SCHEMBL22175863 0.89 SIGMAR1 (0.37) SIGMAR1L3MBTL4L3MBTL3L3MBTL1PLK1
SCHEMBL22175908 0.89 SIGMAR1 (0.37) SIGMAR1L3MBTL4L3MBTL3L3MBTL1PLK1
SCHEMBL22175858 0.87 L3MBTL4 (0.38) SIGMAR1L3MBTL4L3MBTL3L3MBTL1PLK1
SCHEMBL22176518 0.85 MPO (0.42) SIGMAR1L3MBTL1TDP1
SCHEMBL22176312 0.81 SIGMAR1 (0.47) SIGMAR1L3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23969356 0.80 SIGMAR1 (0.43) SIGMAR1L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL22175890 0.78 SIGMAR1 (0.33) SIGMAR1L3MBTL1
SCHEMBL23969324 0.78 PLK1 (0.40) L3MBTL4L3MBTL3L3MBTL1PLK1ALDH1A1
SCHEMBL23969232 0.77 HRH4 (0.34) PLK1TDP1PLK3

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
EP-3903788-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2021-11-03 EP disclosed