SCHEMBL721961

SCHEMBL721961

C#CN1C(=O)CCC(c2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
TSHR P16473 1/20 0.42
SRD5A1 P18405 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CTRB1 P17538 1/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34

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
SCHEMBL718903 0.81 SRD5A1 (0.45) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL9800237 0.75 KMT2A (0.69) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL13495329 0.74 KMT2A (0.46) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL3631486 0.67 KMT2A (0.42) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL7748351 0.67 ALDH1A1 (0.51) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL14560485 0.67 CYP19A1 (0.56) KMT2ATSHRSRD5A1CHRM2CHRM4
SCHEMBL13210441 0.67 DDB1 (0.57) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL9472654 0.66 KMT2A (0.38) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL3631484 0.66 KMT2A (0.41) KMT2ADDB1CRBNTSHRSRD5A1
SCHEMBL14560486 0.65 CYP19A1 (0.57) KMT2ATSHRMEN1

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
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed