SCHEMBL4416574

SCHEMBL4416574

Clc1cccc(Nc2cc[nH]c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 4/20 0.45
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
GRM4 Q14833 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 3/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL1686631 0.82 FADS1 (0.59) FADS1MAPTGAAKMT2AMEN1
SCHEMBL8842433 0.78 RAPGEF4 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL27877664 0.76 CNR1 (0.41) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL3951892 0.76 MEN1 (0.68) FADS1MAPTGAAKMT2AMEN1
SCHEMBL30342506 0.76 MEN1 (0.68) FADS1MAPTGAAKMT2AMEN1
SCHEMBL3958554 0.76 HSD17B10 (0.57) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL31652360 0.74 MEN1 (0.54) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL6351833 0.71 FADS1 (0.49) FADS1MAPTGAAKMT2AMEN1
SCHEMBL4785787 0.70 FADS1 (0.45) FADS1MAPTGAAKMT2AMEN1
SCHEMBL10570513 0.69 KMT2A (0.62) FADS1MAPTGAAKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed