SCHEMBL9004420

SCHEMBL9004420

CCN(c1ccccc1)c1nc(Cl)nc(NC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HCN1 O60741 2/20 0.42
HCN4 Q9Y3Q4 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 3/20 0.39
HTT P42858 1/20 0.38
NFKB1 P19838 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NR3C2 P08235 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL9004423 0.86 ALDH1A1 (0.63) MAPTCRHBPCRHR2NPSR1TDP1
SCHEMBL30568850 0.84 TDP1 (0.68) MAPTLMNANPSR1TDP1ALDH1A1
SCHEMBL9004372 0.84 MAPT (0.50) MAPTCRHBPCRHR2NPSR1ALDH1A1
SCHEMBL11576468 0.80 MAPT (0.56) MAPTLMNACRHBPCRHR2NPSR1
SCHEMBL796040 0.79 MAPT (0.53) MAPTLMNACRHBPCRHR2NPSR1
SCHEMBL9004390 0.78 MAPT (0.47) MAPTCRHBPCRHR2NPSR1TDP1
SCHEMBL13752166 0.77 MAPT (0.73) MAPTCRHBPCRHR2NPSR1TDP1
SCHEMBL8795019 0.75 LMNA (0.48) MAPTLMNANPSR1TDP1ALDH1A1
SCHEMBL7511418 0.74 MAPT (0.57) MAPTCRHBPCRHR2NPSR1TDP1
SCHEMBL12670293 0.74 PDE4A (0.47) MAPTLMNANPSR1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US disclosed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US disclosed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP disclosed