SCHEMBL3505036

SCHEMBL3505036

c1ccc2c(NCCN3CCOCC3)noc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ TOP2A P11388 1/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ USP2 O75604 5/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ MAPT P10636 4/20 0.55
▸ HIF1A Q16665 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ PTK2B Q14289 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ ALOX15 P16050 4/20 0.53
▸ CYP1A2 P05177 4/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ CYP2C19 P33261 2/20 0.53

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
SCHEMBL3505061 0.82 KDM4E (0.53) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL3505581 0.82 HSP90AA1 (0.50) ALDH1A1MEN1KMT2ATOP2AHSD17B10
SCHEMBL6953674 0.82 HSP90AA1 (0.55) ALDH1A1MEN1KMT2ATOP2AHSD17B10
SCHEMBL3504880 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL6959886 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL8184622 0.76 CYP3A4 (0.45) ALDH1A1HSD17B10USP2TP53GLA
SCHEMBL3504380 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL3510105 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSD17B10USP2
SCHEMBL10368879 0.75 CDC7 (0.61) ALDH1A1MEN1KMT2ATOP2AHSD17B10
SCHEMBL28961846 0.75 TOP2A (0.56) ALDH1A1MEN1KMT2ATOP2AHSD17B10

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-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-5925766-A COGNITION ACTIVATORS FOR DECREASING CHOLINERGIC FUNCTION OF ALZHEIMER*S DISEASE AND ARE ENZYME INHIBITORS OF MONOAMINE OXIDASE AND ARE ANTIDEPRESSANTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-20 — — US disclosed
US-5756754-A Substituted 3-(aminoalkylamino)-1,2-benzisoxazoles and related compounds HOECHST MARION ROUSSEL, INC. (US) 1998-05-26 — — 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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