SCHEMBL7621043

SCHEMBL7621043

COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.62
▸ CYP19A1 P11511 2/20 0.62
▸ MEN1 O00255 8/20 0.59
▸ KMT2A Q03164 8/20 0.59
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ HTT P42858 2/20 0.56
▸ MCL1 Q07820 2/20 0.56
▸ PTK2B Q14289 1/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.50
▸ VCP P55072 1/20 0.48
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.45
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 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
SCHEMBL7621052 1.00 PTGS2 (0.62) PTGS2CYP19A1MEN1KMT2ALMNA
SCHEMBL7801907 0.86 MEN1 (0.65) PTGS2CYP19A1MEN1KMT2ALMNA
SCHEMBL7801910 0.86 MEN1 (0.65) PTGS2CYP19A1MEN1KMT2ALMNA
SCHEMBL7622499 0.81 CYP1A1 (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7622494 0.81 CYP1A1 (0.57) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL7623659 0.79 MEN1 (0.67) PTGS2CYP19A1MEN1KMT2ALMNA
SCHEMBL7623671 0.79 MEN1 (0.67) PTGS2CYP19A1MEN1KMT2ALMNA
SCHEMBL7621487 0.79 KDM4E (0.49) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL7621478 0.79 KDM4E (0.49) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL1589647 0.78 PSEN1 (0.65) CYP19A1MEN1KMT2ALMNAMAPT

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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