SCHEMBL27912263

SCHEMBL27912263

COc1ccc(-c2n[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KIT P10721 1/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49

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
SCHEMBL28806715 0.94 TUBB4A (0.52) ALDH1A1KDM4EMEN1HPGDMAPK1
SCHEMBL27930274 0.85 FYN (0.53) KITTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27912260 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2TUBB4A
SCHEMBL31237224 0.83 TUBB4A (0.56) KITTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27930291 0.82 PDGFRB (0.56) KITTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27930282 0.81 TUBB4A (0.61) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL27912259 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2KIT
SCHEMBL28804998 0.78 TUBB4A (0.58) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL28065501 0.77 MGAM (0.51) ALDH1A1MEN1MAPK1KMT2ATUBB4A
SCHEMBL3846446 0.76 PDE4A (0.49) ALDH1A1KDM4EPDE4APDE4BPDE4C

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