SCHEMBL27912262

SCHEMBL27912262

CCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55
▸ TUBA1B P68363 2/20 0.55
▸ TUBA4A P68366 2/20 0.55
▸ TUBB4B P68371 2/20 0.55
▸ TUBB3 Q13509 2/20 0.55
▸ TUBB2A Q13885 2/20 0.55
▸ TUBB8 Q3ZCM7 2/20 0.55
▸ TUBA3E Q6PEY2 2/20 0.55
▸ TUBA1A Q71U36 2/20 0.55
▸ TUBA1C Q9BQE3 2/20 0.55
▸ TUBB6 Q9BUF5 2/20 0.55
▸ TUBB2B Q9BVA1 2/20 0.55
▸ TUBB1 Q9H4B7 2/20 0.55
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL27912261 0.96 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27912265 0.86 MGAM (0.48) MAPT
SCHEMBL27930289 0.85 FYN (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27930349 0.83 TGFBR1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27930273 0.82 MGAM (0.50) MAPTKDM4EALDH1A1
SCHEMBL27930286 0.81 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27912264 0.80 FYN (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28616870 0.78 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27912270 0.78 KDM4E (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27912273 0.77 MAPT (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
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