SCHEMBL10856502

SCHEMBL10856502

CC(C)N1CCc2c(sc(N)c2C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
ADORA1 P30542 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
RAD52 P43351 1/20 0.68
KMT2A Q03164 10/20 0.57
MEN1 O00255 6/20 0.57
HPGD P15428 3/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GLA P06280 1/20 0.52
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.45
PSMD14 O00487 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL6996505 0.82 ADORA1 (0.62) ALDH1A1ADORA1KDM4EMAPTKMT2A
SCHEMBL8289394 0.81 ADORA1 (1.00) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL10856568 0.78 ADORA1 (0.69) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL29229875 0.78 ADORA1 (0.68) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL10862455 0.77 MAPT (0.80) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL10856539 0.75 ADORA1 (0.68) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL29229884 0.74 ADORA1 (0.62) ALDH1A1ADORA1KDM4EMAPTRAD52
SCHEMBL14648848 0.73 KMT2A (0.61) ALDH1A1MAPTRAD52KMT2AMEN1
SCHEMBL17194236 0.72 MAPT (1.00) ALDH1A1ADORA1KDM4EMAPTKMT2A
SCHEMBL30222268 0.72 MAPT (0.61) ALDH1A1ADORA1KDM4EMAPTRAD52

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-4575504-A BRADYCARDIACS DR. KARL THOMAE GMBH (DE) 1986-03-11 US disclosed