SCHEMBL23969240

SCHEMBL23969240

C=Cc1cc(C)ccc1CCCCNC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MPO P05164 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL19142861 0.89 TAAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1SRC
SCHEMBL25989384 0.83 L3MBTL4 (0.38) L3MBTL4L3MBTL3L3MBTL1SIGMAR1ALDH1A1
SCHEMBL5521760 0.81 TYR (0.44) L3MBTL1ALDH1A1TDP1SRCKDM4E
SCHEMBL19295961 0.78 KDM4E (0.41) ALDH1A1TDP1SRCKDM4EHPGD
SCHEMBL22176105 0.77 SIGMAR1 (0.46) L3MBTL4L3MBTL3L3MBTL1SIGMAR1ALDH1A1
SCHEMBL16953613 0.76 SRC (0.39) SIGMAR1ALDH1A1TDP1SRCKDM4E
SCHEMBL24170215 0.76 MPO (0.33) L3MBTL1SMN1; SMN2MPOMEN1KMT2A
SCHEMBL24244320 0.76 TAAR1 (0.44) L3MBTL4L3MBTL3L3MBTL1SIGMAR1ALDH1A1
SCHEMBL25996085 0.76 TAAR1 (0.37) L3MBTL4L3MBTL3ALDH1A1TDP1SRC
SCHEMBL22176129 0.75 L3MBTL4 (0.38) L3MBTL4L3MBTL3L3MBTL1ALDH1A1TDP1

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