SCHEMBL6792537

SCHEMBL6792537

CC1SC(=O)NN=C1c1ccc2c(c1)CCCN2C(=O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.67
PDE3A Q14432 1/20 0.67
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57
KCNH2 Q12809 1/20 0.55
CYP11B2 P19099 1/20 0.50
TP53 P04637 11/20 0.49
LMNA P02545 8/20 0.49
POLB P06746 2/20 0.47
RORC P51449 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 4/20 0.46

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
SCHEMBL9529826 0.85 PDE3B (0.70) PDE3BPDE3AKCNH2CYP11B2TP53
SCHEMBL9038679 0.83 PDE3B (0.70) PDE3BPDE3AALDH1A1KCNH2CYP11B2
SCHEMBL4322811 0.80 PDE3B (1.00) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL9038866 0.80 PDE3B (0.84) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL29424272 0.80 PDE3B (1.00) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL9672059 0.80 PDE3B (0.64) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL9528352 0.80 PDE3B (0.68) PDE3BPDE3AKCNH2CYP11B2MEN1
SCHEMBL9039619 0.79 PDE3B (0.72) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL8553283 0.79 PDE3B (0.88) PDE3BPDE3ATSHRALDH1A1KCNH2
SCHEMBL9671568 0.79 KCNH2 (0.64) PDE3BPDE3ATSHRALDH1A1KCNH2

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-6699857-B1 ANEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed