SCHEMBL8375133

SCHEMBL8375133

CC(C)(C)OC(=O)Nc1ccncc1O.CCN(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.41
NAMPT P43490 3/20 0.40
ATR Q13535 1/20 0.39
KCNQ4 P56696 3/20 0.36
KCNQ5 Q9NR82 3/20 0.36
RAB9A P51151 2/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
ACVR1B P36896 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
BRS3 P32247 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL3666785 0.87 NAMPT (0.48) CYP17A1NAMPTATRRAB9ABRS3
SCHEMBL8376711 0.82 HSD17B10 (0.42) RAB9AKDM4ENPC1MAPTKDM6B
SCHEMBL8375136 0.80 HSD17B10 (0.46) CYP17A1NAMPTKDM4E
SCHEMBL8376698 0.78 KDM4C (0.43) KDM4EMAPTKDM6BKDM4C
SCHEMBL23674773 0.77 CYP17A1 (0.48) CYP17A1NAMPTATRRAB9ABRS3
SCHEMBL8375142 0.76 KDM4C (0.58) IDO1KDM4EKDM6BKDM4C
SCHEMBL18522430 0.76 NAMPT (0.50) CYP17A1NAMPTATRRAB9ABRS3
SCHEMBL5746768 0.75 CYP17A1 (0.46) CYP17A1NAMPTRAB9ABRS3KDM6B
SCHEMBL8374734 0.74 KDM4C (0.58) IDO1KDM4EMAPTKDM6BKDM4C
SCHEMBL12018154 0.74 CYP17A1 (0.48) CYP17A1NAMPTATRRAB9AKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821239-A USEFUL FOR TREATING ALZHEIMER'S DISEASE CAUSED BY CHOLINERGIC DEFICIT FROMMER LAWRENCE & HUAG LLP (US) 1998-10-13 US claimed
US-5869480-A ALLEVIATING MEMORY DYSFUNCTION CHARACTERIZED BY CHOLINERGIC DEFICIT HOECHST MARION ROUSSEL INC. (US) 1999-02-09 US disclosed
US-5866565-A ALZHEIMER'S DISORDERS HOECHST MARION ROUSSEL INC. (US) 1999-02-02 US disclosed
US-5821239-A USEFUL FOR TREATING ALZHEIMER'S DISEASE CAUSED BY CHOLINERGIC DEFICIT FROMMER LAWRENCE & HUAG LLP (US) 1998-10-13 US disclosed
EP-0477903-A2 Substituted-4-amino-3-pyridinols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-01 EP disclosed