SCHEMBL23969437

SCHEMBL23969437

C=C(CC)c1cc(C)cc(Cl)c1CCCCCNC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX1 P07099 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
SCHEMBL22175863 0.77 SIGMAR1 (0.37) SIGMAR1L3MBTL1HPGDTSHRKDM4E
SCHEMBL22175908 0.77 SIGMAR1 (0.37) SIGMAR1L3MBTL1HPGDTSHRKDM4E
SCHEMBL22176523 0.77 SIGMAR1 (0.37) SIGMAR1L3MBTL1HPGDTSHRKDM4E
SCHEMBL22175858 0.75 L3MBTL4 (0.38) SIGMAR1L3MBTL1HPGDNOS3NOS1
SCHEMBL23969212 0.74 SIGMAR1 (0.37) SIGMAR1L3MBTL1HPGDKDM4ESMN1; SMN2
SCHEMBL22176509 0.73 L3MBTL1 (0.35) SIGMAR1L3MBTL1POLBTSHRKDM4E
SCHEMBL22175913 0.71 TAAR1 (0.39) SIGMAR1L3MBTL1POLBKDM4EGAA
SCHEMBL23969324 0.71 PLK1 (0.40) L3MBTL1
SCHEMBL22175890 0.69 SIGMAR1 (0.33) SIGMAR1L3MBTL1
SCHEMBL22176312 0.69 SIGMAR1 (0.47) SIGMAR1L3MBTL1HPGDTSHRKDM4E

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