SCHEMBL5173258

SCHEMBL5173258

Cc1ccccc1C(O)c1ccc2c(cnn2CC(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
NR3C1 P04150 4/20 0.44
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36
HTR4 Q13639 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL2443908 0.79 HTR2A (0.54) NR3C1HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL2447136 0.79 KMO (0.45) NR3C1HTR2AHTR2CKCNH2HTR1A
SCHEMBL2443528 0.79 NR3C1 (0.61) NR3C1HTR2AHTR2CHTR1AADRA2A
SCHEMBL2443310 0.77 HTR2A (0.44) NR3C1HTR2AHTR2CKCNH2SLC6A4
SCHEMBL2445235 0.77 HTR2A (0.52) NR3C1HTR2AHTR2CHTR1AADRA2A
SCHEMBL4778532 0.77 HTR2A (0.44) NR3C1HTR2AHTR2CKCNH2SLC6A4
SCHEMBL2440808 0.73 ALDH1A1 (0.51) NR3C1HTR2AHTR2CKMT2AKMO
SCHEMBL2451981 0.72 MAPK10 (0.46) NR3C1HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL2445925 0.72 HTR2A (0.60) NR3C1HTR2AHTR2CHTR1AADRA2A
SCHEMBL30259947 0.71 RECQL (0.56) HTR2AHTR2CHTR1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759645-B P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2014-06-25 CN disclosed
CN-101759645-A P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC 2010-06-30 CN disclosed
CN-100579976-C p38 inhibitors and methods of their use ARRAY BIOPHARMA INC 2010-01-13 CN disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
CN-1784396-A p38 inhibitors and methods of their use ARRAY BIOPHARMA INC (US) 2006-06-07 CN disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 WO disclosed