SCHEMBL343199

SCHEMBL343199

Cc1ccc(CNC(=S)NCCN=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALOX12 P18054 4/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALPL P05186 1/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 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
SCHEMBL7802158 0.80 MEN1 (0.53) MEN1KMT2AALOX12POLBGAA
SCHEMBL20496869 0.74 LMNA (0.54) MEN1KMT2AALOX12POLBGAA
SCHEMBL13714545 0.73 POLB (0.48) MEN1KMT2AALOX12POLBGAA
SCHEMBL12049322 0.72 TRPV1 (0.62)
SCHEMBL12049555 0.72 TRPV1 (0.54) MEN1KMT2A
SCHEMBL13714461 0.72 HDAC3 (0.47) MEN1KMT2AALOX12POLBGAA
SCHEMBL24386417 0.70 LMNA (0.42) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL24386129 0.70 POLB (0.64) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL29257728 0.70 SMN1; SMN2 (0.58) MEN1KMT2AALOX12POLBGAA
SCHEMBL15100298 0.70 SMN1; SMN2 (0.53) MEN1KMT2AALOX12POLBGAA

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
EP-2428207-A1 Alpha-2B adrenergic receptor agonist and serotonin-norepinephrine reuptake inhibitor compositions for treating chronic pain Allergan, Inc. (US) 2012-03-14 EP disclosed