SCHEMBL6953674

SCHEMBL6953674

Oc1ccc2onc(NCCN3CCOCC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.55
▸ HSP90AB1 P08238 1/20 0.55
▸ LMNA P02545 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 7/20 0.46
▸ CYP3A4 P08684 7/20 0.46
▸ CYP2D6 P10635 7/20 0.46
▸ CLK4 Q9HAZ1 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ SYK P43405 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 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
SCHEMBL3510105 0.93 ALDH1A1 (0.50) HSP90AA1HSP90AB1LMNAMEN1KMT2A
SCHEMBL3505581 0.90 HSP90AA1 (0.50) HSP90AA1HSP90AB1LMNAHIF1AMEN1
SCHEMBL3504380 0.83 ALDH1A1 (0.48) HSP90AA1HSP90AB1LMNAMEN1KMT2A
SCHEMBL3504880 0.82 ALDH1A1 (0.56) HSP90AA1HSP90AB1LMNAHIF1AMEN1
SCHEMBL3505036 0.82 ALDH1A1 (0.58) LMNAHIF1AMEN1KMT2AMAPT
SCHEMBL8183130 0.80 CYP3A4 (0.47) HSP90AA1HSP90AB1LMNAHIF1AMEN1
SCHEMBL3503323 0.79 HSP90AA1 (0.45) HSP90AA1HSP90AB1LMNAHIF1ACYP1A2
SCHEMBL3505061 0.78 KDM4E (0.53) HSP90AA1HSP90AB1LMNAMEN1KMT2A
SCHEMBL3504603 0.77 ESR1 (0.38) HSP90AA1HSP90AB1CYP3A4HSD17B10ALDH1A1
SCHEMBL3506032 0.75 CYP1A2 (0.50) HSP90AA1HSP90AB1LMNAHIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669920-B1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2003-02-12 — — EP disclosed
US-6046203-A USEFUL FOR THE TREATMENT OF VARIOUS MEMORY DYSFUNCTIONS CHARACTERIZED BY A DECREASED CHOLINERGIC FUNCTION SUCH AS ALZHEIMER'S DISEASE; ALSO INHIBIT MONOAMINE OXIDASE AND HENCE ARE USEFUL AS ANTIDEPRESSANTS AVENTIS PHARMACEUTICALS INC. (US) 2000-04-04 — — US disclosed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 — — US disclosed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US disclosed
EP-0669920-A4 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. HOECHST ROUSSEL PHARMA (US) 1995-10-25 — — EP disclosed
EP-0669920-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, Inc. (US) 1995-09-06 — — EP disclosed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 — — WO disclosed
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