SCHEMBL7811290

SCHEMBL7811290

COc1ccc(/C=C/c2nc3cc(OC(=O)O)ccc3[nH]2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TUBB4A P04350 4/20 0.46
▸ TUBB P07437 4/20 0.46
▸ TUBA3C P0DPH7 4/20 0.46
▸ TUBA1B P68363 4/20 0.46
▸ TUBA4A P68366 4/20 0.46
▸ TUBB4B P68371 4/20 0.46
▸ TUBB3 Q13509 4/20 0.46
▸ TUBB2A Q13885 4/20 0.46
▸ TUBB8 Q3ZCM7 4/20 0.46
▸ TUBA3E Q6PEY2 4/20 0.46
▸ TUBA1A Q71U36 4/20 0.46
▸ TUBA1C Q9BQE3 4/20 0.46
▸ TUBB6 Q9BUF5 4/20 0.46
▸ TUBB2B Q9BVA1 4/20 0.46

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
SCHEMBL7802024 0.90 KMT2A (0.46) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7622499 0.87 CYP1A1 (0.57) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7622494 0.87 CYP1A1 (0.57) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7621487 0.84 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7621478 0.84 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7621431 0.83 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7621435 0.83 KDM4E (0.51) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7620386 0.81 NPC1 (0.50) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7620399 0.81 NPC1 (0.50) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL1589647 0.78 PSEN1 (0.65) KDM4EALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830345-B1 STYRYL BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 2001-09-05 — — EP claimed
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