SCHEMBL28047875

SCHEMBL28047875

O=CNc1cnc(NC=O)cn1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL27917291 0.97 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28161917 0.86 DDB1 (0.40) ALDH1A1
SCHEMBL27536556 0.86 SIRT6 (0.36)
SCHEMBL28899725 0.86 HSP90AA1 (0.30)
SCHEMBL28145922 0.81 SIRT6 (0.42) ALDH1A1
SCHEMBL1007838 0.78
SCHEMBL30155718 0.78
SCHEMBL27833168 0.76 ALDH1A1 (0.43) ALDH1A1
Hydrochloric Acid SCHEMBL28215572 0.76 KMT2A (0.40) ALDH1A1
SCHEMBL20271757 0.74 DEGS1 (0.45)

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
CN-105189506-A Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG 2015-12-23 CN claimed
CN-110494167-A Composition and system for renal function measurement MEDIBEACON INC 2019-11-22 CN disclosed
CN-105189506-A Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG 2015-12-23 CN disclosed