SCHEMBL4688795

SCHEMBL4688795

Cc1ccc2onc(Cl)c2c1.Cc1ccc2onc(N3CCNCC3)c2c1.Cc1ccc2onc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.39
THRB P10828 4/20 0.39
HTR2C P28335 3/20 0.37
ADRB2 P07550 1/20 0.37
ADRA2A P08913 1/20 0.37
AXL P30530 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
LPAR5 Q9H1C0 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
SCHEMBL4499226 0.86 HTR2C (0.46) TP53LMNAMAPTTHRBHTR2C
SCHEMBL6219432 0.76 HTR2C (0.44) HTR2CADRB2ADRA2AAXLHRH1
SCHEMBL6220944 0.76 HRH4 (0.54) TP53LMNATHRBHTR2CADRB2
SCHEMBL4499993 0.74 MAPT (0.54) TP53LMNAMAPTTHRBHTR2C
SCHEMBL1759343 0.74 MAPT (0.54) TP53LMNAMAPTTHRBHTR2C
SCHEMBL5767981 0.71 KDR (0.47) HTR2C
SCHEMBL2710036 0.71 HTT (0.58) MAPTHTR2C
SCHEMBL2709277 0.70 NCF1 (0.54)
Hydrochloric Acid SCHEMBL1963879 0.70 KDR (0.46) HTR2C
SCHEMBL2709881 0.69 CYP1A2 (0.46) TP53LMNAMAPTHTR2C

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-1572698-B1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO¬2,3-D PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-07-02 EP disclosed