SCHEMBL28065501

SCHEMBL28065501

COc1cc(-c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.51
GAA P10253 4/20 0.51
SI P14410 4/20 0.51
MGAM2 Q2M2H8 4/20 0.51
MAOB P27338 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
PRMT5 O14744 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46

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
SCHEMBL27930288 0.95 MGAM (0.54) MGAMGAASIMGAM2MAOB
SCHEMBL27930282 0.85 TUBB4A (0.61) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL28804998 0.81 TUBB4A (0.58) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28821560 0.81 GAA (0.47) MGAMGAASIMGAM2MAOB
SCHEMBL27930274 0.80 FYN (0.53) MGAMGAASIMGAM2MAPT
SCHEMBL1758642 0.78 F2 (0.52) MGAMGAASIMGAM2MAOB
SCHEMBL27912263 0.77 ALDH1A1 (0.50) GAAMAPK1TUBB4ATUBBTUBA3C
SCHEMBL27912260 0.76 ALDH1A1 (0.50) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28306721 0.75 GAA (0.47) MGAMGAASIMGAM2MAOB
SCHEMBL27930291 0.75 PDGFRB (0.56) MGAMGAASIMGAM2MAPT

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
CN-103183640-B Diaryl pyrazole azole compounds and preparation method thereof and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-04-27 CN claimed
CN-103183640-B Diaryl pyrazole azole compounds and preparation method thereof and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-04-27 CN disclosed
CN-103183640-A Diaryl pyrazole compound, and preparation method and purpose thereof UNIV SHENYANG PHARMACEUTICAL 2013-07-03 CN disclosed