SCHEMBL3510105

SCHEMBL3510105

Oc1ccc2onc(NCCCN3CCOCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HPGD P15428 2/20 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
SCHEMBL6953674 0.93 HSP90AA1 (0.55) ALDH1A1HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL3504380 0.91 ALDH1A1 (0.48) ALDH1A1HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL3505581 0.83 HSP90AA1 (0.50) ALDH1A1HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL3504880 0.78 ALDH1A1 (0.56) ALDH1A1HSP90AA1HSP90AB1KDM4ENPC1
SCHEMBL10371678 0.78 CDC7 (0.51) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL3505036 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAKMT2AGLA
SCHEMBL8183130 0.73 CYP3A4 (0.47) ALDH1A1HSP90AA1HSP90AB1KDM4ELMNA
SCHEMBL3505069 0.73 GAA (0.45) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL3508765 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL3503323 0.73 HSP90AA1 (0.45) ALDH1A1HSP90AA1HSP90AB1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 — — EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 — — WO disclosed
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
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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