SCHEMBL21800922

SCHEMBL21800922

CC1C=CN(C(CC(=O)O)C(=O)O)N1C.Cc1cn(C(CC(=O)O)C(=O)O)nc1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
LGALS3 P17931 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL1492372 0.83 ALDH1A1 (0.50) ALDH1A1TP53LGALS3POLBMAPT
Ammonia Solution, Strong SCHEMBL22123063 0.81 ALDH1A1 (0.49) ALDH1A1TP53LGALS3POLBMAPT
SCHEMBL8510704 0.70 ALDH1A1 (0.49) ALDH1A1TP53LGALS3POLBMAPT
SCHEMBL20647994 0.70 KDM4E (0.39) ALDH1A1TP53POLBMAPT
SCHEMBL8509201 0.61 ALDH1A1 (0.46) ALDH1A1TP53POLBMAPT
SCHEMBL31633560 0.56 ALDH1A1 (0.55) ALDH1A1TP53POLBMAPT
SCHEMBL31633559 0.56 LMNA (0.33) ALDH1A1
SCHEMBL16751955 0.55 ALDH1A1 (0.40) ALDH1A1TP53POLBMAPT
SCHEMBL19615935 0.55 ALDH1A1 (0.54) ALDH1A1TP53POLBMAPT
SCHEMBL27757767 0.55 SRC (0.48) POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321508-A Preparation method of nitrification inhibitor 浙江今晖新材料股份有限公司 2021-02-05 CN disclosed
EP-3623362-A1 NITRIFICATION INHIBITOR CONTAINING FERTILISER MIXTURE EuroChem Agro GmbH (DE) 2020-03-18 EP disclosed