SCHEMBL8803352

SCHEMBL8803352

O=C1CC2(C(=O)N1)C(=O)N(Cc1nc3ccccc3s1)C(=O)c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.60
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AKR1B10 O60218 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41

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
SCHEMBL8803594 0.89 AKR1B1 (0.77) AKR1B1AKR1B10AKR1A1
SCHEMBL8803259 0.86 AKR1B1 (0.81) AKR1B1AKR1B10AKR1A1
SCHEMBL8806293 0.83 NPC1 (0.46) AKR1B1LMNANPC1MITFTP53
SCHEMBL7531257 0.76 NPC1 (0.61) AKR1B1LMNANPC1MITFTP53
SCHEMBL8803910 0.76 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1
SCHEMBL9383372 0.75 AKR1B1 (0.59) AKR1B1AKR1B10AKR1A1
SCHEMBL9384403 0.73 AKR1B1 (0.57) AKR1B1AKR1B10AKR1A1
SCHEMBL9388594 0.72 AKR1B1 (0.58) AKR1B1TP53
SCHEMBL9385978 0.71 AKR1B1 (0.55) AKR1B1AKR1B10AKR1A1
SCHEMBL8802086 0.71 AKR1B1 (0.61) AKR1B1AKR1B10AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458551-B1 Spiro-isoquinoline-pyrrolidines and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PROD (US) 1997-12-03 — — EP claimed
EP-0458551-B1 Spiro-isoquinoline-pyrrolidines and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PROD (US) 1997-12-03 — — EP disclosed
US-5093496-A Spiro-isoquinoline-pyrrolidines and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-03 — — US disclosed
EP-0458551-A1 Spiro-isoquinoline-pyrrolidines and analogs thereof useful as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1991-11-27 — — EP disclosed
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