SCHEMBL7622499

SCHEMBL7622499

COc1ccc2[nH]c(C=Cc3ccc(OC)c(OC)c3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.57
▸ CYP1B1 Q16678 5/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ TUBB4A P04350 3/20 0.56
▸ TUBB P07437 3/20 0.56
▸ TUBA3C P0DPH7 3/20 0.56
▸ TUBA1B P68363 3/20 0.56
▸ TUBA4A P68366 3/20 0.56
▸ TUBB4B P68371 3/20 0.56
▸ TUBB3 Q13509 3/20 0.56
▸ TUBB2A Q13885 3/20 0.56
▸ TUBB8 Q3ZCM7 3/20 0.56
▸ TUBA3E Q6PEY2 3/20 0.56
▸ TUBA1A Q71U36 3/20 0.56
▸ TUBA1C Q9BQE3 3/20 0.56
▸ TUBB6 Q9BUF5 3/20 0.56
▸ TUBB2B Q9BVA1 3/20 0.56
▸ TUBB1 Q9H4B7 3/20 0.56
▸ NQO2 P16083 3/20 0.52
▸ TTR P02766 1/20 0.51

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
SCHEMBL7622494 1.00 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2TUBB4ATUBB
SCHEMBL7811290 0.87 KDM4E (0.47) CYP1A1CYP1B1CYP1A2TUBB4ATUBB
SCHEMBL7802024 0.86 KMT2A (0.46) CYP1A1CYP1B1CYP1A2TUBB4ATUBB
SCHEMBL1589647 0.84 PSEN1 (0.65) CYP1A1CYP1B1CYP1A2TUBB4ATUBB
SCHEMBL7625703 0.84 PSEN1 (0.65) CYP1A1CYP1B1CYP1A2TUBB4ATUBB
SCHEMBL7621478 0.82 KDM4E (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7621487 0.82 KDM4E (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7620386 0.81 NPC1 (0.50) ABCG2PSEN1PSEN2KCNH2APH1B
SCHEMBL7621043 0.81 PTGS2 (0.62) PSEN1PSEN2KCNH2APH1BNCSTN
SCHEMBL7621052 0.81 PTGS2 (0.62) PSEN1PSEN2KCNH2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444694-B1 ANTIPROLIFERATIVE AGENTS WYETH 2002-09-03 — — US claimed
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP claimed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 — — EP claimed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 — — WO claimed
US-6444694-B1 ANTIPROLIFERATIVE AGENTS WYETH 2002-09-03 — — US disclosed
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP disclosed
EP-0830345-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-25 — — EP disclosed
WO-1996039391-A1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-12 — — WO disclosed
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