SCHEMBL4779994

SCHEMBL4779994

CSc1ccc(NC(=S)NC2CCN(c3nccc4ccccc34)CC2)cc1.S=C(Nc1ccccc1)NC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4582075 0.98 MALT1 (0.45) MALT1HRH4SIGMAR1MAPTRXFP1
SCHEMBL4582822 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1KMT2AHRH4
SCHEMBL4584337 0.90 MALT1 (0.45) MALT1KMT2AHRH4
SCHEMBL4582726 0.87 POLB (0.53) MALT1ALDH1A1HRH4POLB
SCHEMBL4583157 0.85 MALT1 (0.51) MALT1ALDH1A1MAPK1MAPT
SCHEMBL4584127 0.83 HTT (0.56) MALT1ALDH1A1KMT2AHRH4
SCHEMBL4583253 0.83 HTR2C (0.45) MALT1HRH4
SCHEMBL4583335 0.82 MEN1 (0.55) MALT1ALDH1A1KMT2AMAPTPOLB
SCHEMBL4725222 0.82 HTT (0.46) MALT1ALDH1A1KMT2AHRH4
SCHEMBL4581567 0.81 MALT1 (0.45) MALT1ALDH1A1KMT2A

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
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed