SCHEMBL11048265

SCHEMBL11048265

NCC(=O)Oc1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FDPS P14324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4060537 0.85 TBXAS1 (0.39) TBXAS1ALDH1A1KDM4ECSNK1A1TYRO3
SCHEMBL16859466 0.81 TBXAS1 (0.33) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL16859463 0.81 TBXAS1 (0.33) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL16859448 0.81 TBXAS1 (0.33) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11589157 0.81 TBXAS1 (0.44) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL25475176 0.81 TBXAS1 (0.33) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6048435 0.81 SMN1; SMN2 (0.37) TBXAS1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL16859471 0.79 TBXAS1 (0.35) TBXAS1ALDH1A1KDM4E
SCHEMBL16859456 0.79 TBXAS1 (0.35) TBXAS1ALDH1A1KDM4E
SCHEMBL25475135 0.79 TBXAS1 (0.35) TBXAS1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431581-A TREATING THE CLEAVAGE PRODUCTS OF HEMOGLOBIN WITH A DEHYDRATING AGENT AT A BASIC PH; SUPERNATANT; ANEMIA LINDROOS PAUL GORAN SIGVARD (FI) 1984-02-14 US disclosed
EP-0056025-A1 HEME CONCENTRATE AND METHOD FOR THE PREPARATION THEREOF. LINDROOS PAUL GORAN SIGVARD 1982-07-21 EP disclosed
WO-1981002834-A1 HEME CONCENTRATE AND METHOD FOR THE PREPARATION THEREOF LINDROOS P 1981-10-15 WO disclosed