SCHEMBL1027375

SCHEMBL1027375

COc1ccc2c(c1)CN(N(C)C(=O)CN(CCNC(C)C)C(=O)CNc1cc(-c3noc(C)n3)ccc1C)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
HTR2A P28223 3/20 0.37
THRB P10828 1/20 0.35
DRD3 P35462 2/20 0.34
MAPK14 Q16539 1/20 0.34
P2RX3 P56373 2/20 0.33
DRD2 P14416 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL1027545 0.99 LMNA (0.38) LMNAMAPTHTR1DHTR1BHTR2A
SCHEMBL1027188 0.91 MAPT (0.38) LMNAMAPTHTR1DHTR1BHTR2A
SCHEMBL1024361 0.91 MAPK14 (0.37) LMNAHTR1DHTR1BHTR2AMAPK14
Hydrochloric Acid SCHEMBL1024154 0.91 MAPT (0.38) LMNAMAPTHTR1DHTR1BHTR2A
SCHEMBL1027365 0.91 LMNA (0.35) LMNAHTR1DHTR1BHTR2ATHRB
Hydrochloric Acid SCHEMBL1027402 0.90 MAPK14 (0.36) LMNAHTR1DHTR1BHTR2AMAPK14
Hydrochloric Acid SCHEMBL1026435 0.90 LMNA (0.35) LMNAHTR1DHTR1BHTR2ATHRB
Hydrochloric Acid SCHEMBL1025409 0.88 KIT (0.35) LMNAMAPTHTR1DHTR1BHTR2A
SCHEMBL1028852 0.88 MAPT (0.38) LMNAMAPTHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1027389 0.87 HTR1D (0.37) LMNAMAPTHTR1DHTR1BHTR2A

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-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed