SCHEMBL19976345

SCHEMBL19976345

CNS(=O)(=O)CC1CC(C(=O)O)N(S(=O)(=O)c2cccc3c(N(C)C)cccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
FKBP4 Q02790 2/20 0.43
TGM2 P21980 3/20 0.42
EPHX2 P34913 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4126919 0.83 KMT2A (0.51) KMT2AATMFKBP4TGM2CA2
SCHEMBL19976347 0.80 KMT2A (0.47) KMT2AATMTGM2EPHX2
SCHEMBL16669303 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL26204953 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL16669181 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL30203859 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL26204959 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL30204309 0.78 KMT2A (0.50) KMT2AATMTGM2CA2
SCHEMBL19697944 0.77 KMT2A (0.52) KMT2AATMTGM2EPHX2CA2
SCHEMBL31363195 0.76 KMT2A (0.60) KMT2AATM

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