SCHEMBL27619512

SCHEMBL27619512

COc1cc(C(C)=O)cc(N)c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.60
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46
▸ TUBB2B Q9BVA1 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ CREBBP Q92793 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
SCHEMBL18867077 0.90 LMNA (0.67) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL21723570 0.85 CA12 (0.60) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL30418756 0.83 KDM4E (0.53) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL7374627 0.83 LMNA (0.58) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL18031417 0.83 KDM4E (0.53) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL31059012 0.83 LMNA (0.58) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL14586763 0.83 LMNA (0.75) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL13681473 0.83 LMNA (0.58) LMNAHTTALDH1A1L3MBTL1TUBB4A
Hydrochloric Acid SCHEMBL5598726 0.81 LMNA (0.72) LMNAHTTALDH1A1L3MBTL1TUBB4A
SCHEMBL18969596 0.79 LMNA (0.53) LMNAHTTALDH1A1L3MBTL1TUBB4A

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-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 — — CN disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 — — CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 — — CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
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