SCHEMBL7620399

SCHEMBL7620399

COC(=O)c1ccc2[nH]c(C=Cc3ccc(OC)c(OC)c3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ NFE2L2 Q16236 1/20 0.45
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45
▸ HPGD P15428 3/20 0.44

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
SCHEMBL7620386 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7621487 0.90 KDM4E (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7621478 0.90 KDM4E (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7621435 0.86 KDM4E (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7621431 0.86 KDM4E (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7802024 0.83 KMT2A (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7811290 0.81 KDM4E (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7622494 0.81 CYP1A1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7622499 0.81 CYP1A1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1589647 0.78 PSEN1 (0.65) NPC1RAB9AMEN1KMT2AMAPT

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
Send feedback