SCHEMBL6650233

SCHEMBL6650233

COC(=O)[C@H](C(C)C)N(C(=O)OC)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL6650430 0.89 POLB (0.39) LIPEPOLBALDH1A1LMNAKDM4E
SCHEMBL7279887 0.89 POLB (0.39) LIPEPOLBALDH1A1LMNAKDM4E
SCHEMBL7307868 0.80 RAB9A (0.36) KMT2ASMN1; SMN2NPSR1MEN1RAB9A
SCHEMBL7307862 0.80 RAB9A (0.36) KMT2ASMN1; SMN2NPSR1MEN1RAB9A
SCHEMBL761922 0.76 ALOX15 (0.45) LIPEPOLBALDH1A1LMNAKDM4E
SCHEMBL20484557 0.74 HTT (0.49) POLBALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL20557723 0.72 LIPE (0.40) LIPEPOLBALDH1A1KDM4EKMT2A
SCHEMBL10407604 0.72 ATM (0.39) LIPEPOLBALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL4621439 0.71 HDAC6 (0.46) POLBALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL1028262 0.69 CYP1A2 (0.57) POLBALDH1A1LMNAKDM4EKMT2A

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-1423167-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS Elan Pharmaceuticals, Inc. (US) 2004-06-02 — — EP disclosed
WO-2003020370-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS ELAN PHARMACEUTICALS, INC. (US) 2003-03-13 — — WO disclosed
CN-1090612-C Amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 2002-09-11 — — CN disclosed
CN-1100090-A amine derivatives of oxo-and hydroxy-substituted hydrocarbons NARHEX LTD (HK) 1995-03-15 — — CN disclosed
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