SCHEMBL6246341

SCHEMBL6246341

CS(=O)(=O)CCC(N)CCN

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 1/20 0.34
PMP22 Q01453 1/20 0.33
TRPA1 O75762 1/20 0.31
NLRP3 Q96P20 1/20 0.31
KMT2A Q03164 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
GABRR1 P24046 2/20 0.30

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
SCHEMBL15984795 0.78 ENPEP (0.35) ENPEPPMP22NLRP3S1PR2S1PR1
SCHEMBL820427 0.76 LMNA (0.52) ENPEPS1PR2S1PR1S1PR3GABRR1
SCHEMBL7436774 0.76 PMP22 (0.38) ENPEPPMP22NLRP3KMT2AS1PR2
SCHEMBL29180212 0.76 PMP22 (0.38) ENPEPPMP22NLRP3KMT2AS1PR2
SCHEMBL9930127 0.76 ENPEP (0.59) ENPEP
SCHEMBL14851180 0.76 ENPEP (0.34) ENPEPPMP22NLRP3
SCHEMBL15980693 0.74 ANPEP (0.41) ENPEPPMP22NLRP3
SCHEMBL28378901 0.74 ENPEP (0.63) ENPEPPMP22
SCHEMBL28914371 0.74 LMNA (0.50) ENPEPS1PR2S1PR1S1PR3
SCHEMBL14737979 0.73 PLA2G2C (0.33) ENPEPPMP22

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-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed