SCHEMBL19976336

SCHEMBL19976336

CNS(=O)(=O)c1cccc2c(C(C)C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NSD2 O96028 2/20 0.41
FTO Q9C0B1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
CYP1A2 P05177 1/20 0.37
EDNRA P25101 1/20 0.36

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
SCHEMBL11821856 0.85 NSD2 (0.52) CDK5CDK5R1NSD2FTOALDH1A1
SCHEMBL16259649 0.83 NSD2 (0.62) NSD2KDM4ELMNASMN1; SMN2
SCHEMBL9230550 0.82 L3MBTL1 (0.47) ALDH1A1L3MBTL1POLBLMNATSHR
SCHEMBL7790997 0.79 TTR (0.55) NSD2L3MBTL1POLBLMNATSHR
SCHEMBL13562871 0.79 CDK2 (0.56) NSD2FTOL3MBTL1LMNATSHR
SCHEMBL5482391 0.77 THRB (0.38) ALDH1A1L3MBTL1LMNASMN1; SMN2TSHR
SCHEMBL20977444 0.77 CYP1A2 (0.50) CDK5CDK5R1NSD2FTOALDH1A1
SCHEMBL8907054 0.76 EDNRA (0.57) ALDH1A1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL4556340 0.75 CDK2 (0.61) CDK5CDK5R1NSD2FTOALDH1A1
SCHEMBL6074022 0.75 CYP3A4 (0.59) CDK5CDK5R1NSD2ALDH1A1KDM4E

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
US-9920020-B2 Using squaraine dyes as near infrared fluorescent sensors for protein detection THE UNIVERSITY OF AKRON (US) 2018-03-20 US disclosed