SCHEMBL23969356

SCHEMBL23969356

C=C(CC)c1cc2ccccc2cc1CCCCCNC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
SLC2A1 P11166 1/20 0.35
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A4 P31645 2/20 0.34
HTR1B P28222 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL22176312 0.83 SIGMAR1 (0.47) SIGMAR1L3MBTL1KMT2AKDM4EHPGD
SCHEMBL22175908 0.80 SIGMAR1 (0.37) SIGMAR1L3MBTL1KMT2AKDM4EHPGD
SCHEMBL22176523 0.80 SIGMAR1 (0.37) SIGMAR1L3MBTL1KMT2AKDM4EHPGD
SCHEMBL23969212 0.80 SIGMAR1 (0.37) SIGMAR1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL22175863 0.80 SIGMAR1 (0.37) SIGMAR1L3MBTL1KMT2AKDM4EHPGD
SCHEMBL22176518 0.78 MPO (0.42) SIGMAR1L3MBTL1KMT2AMEN1HTT
SCHEMBL22175847 0.78 SIGMAR1 (0.40) SIGMAR1L3MBTL1KMT2AKDM4EHPGD
SCHEMBL22175865 0.78 MPO (0.42) SIGMAR1L3MBTL1KMT2AMEN1HTT
SCHEMBL22175858 0.78 L3MBTL4 (0.38) SIGMAR1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL22175890 0.77 SIGMAR1 (0.33) SIGMAR1L3MBTL1

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