SCHEMBL8991191

SCHEMBL8991191

CCCCC1(C)C(=O)OCC(c2ccccc2)C1(C=NN)S(=O)(=O)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL8991195 0.67
SCHEMBL8991380 0.61 KDM1A (0.35) KDM1AMAOAMAOB
SCHEMBL18109699 0.61 SLC10A2 (0.38) KDM1AMAOAMAOB
SCHEMBL10409193 0.59 NFKB1 (0.43) KDM1AMAOAMAOB
SCHEMBL8286504 0.58 KDM1A (0.41) KDM1AMAOAMAOB
SCHEMBL25193093 0.58 SLC10A2 (0.40)
SCHEMBL7497849 0.58 KDM1A (0.38) KDM1AMAOAMAOB
SCHEMBL18109314 0.58 MMP2 (0.37) KDM1AMAOAMAOB
SCHEMBL19991844 0.58 MMP2 (0.39) KDM1AMAOAMAOB
SCHEMBL19940946 0.56 KDM1A (0.37) KDM1AMAOAMAOB

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-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 US claimed