SCHEMBL9601633

SCHEMBL9601633

O=C(OC(=O)c1cccc(-c2ccnnn2)c1O)c1cccc(-c2ccnnn2)c1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.35
HSD17B10 Q99714 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL9599501 0.87 BCAT2 (0.41) HNF4AHSD17B10
SCHEMBL1534219 0.76 HPGD (0.39) HSD17B10
SCHEMBL29938206 0.73 RAB9A (0.45) HNF4AHSD17B10
SCHEMBL2576585 0.73 RAB9A (0.45) HNF4AHSD17B10
SCHEMBL8523177 0.72 BCAT2 (0.53) HSD17B10
SCHEMBL1719706 0.70 AKR1C3 (0.44)
SCHEMBL16731967 0.69 ALDH1A1 (0.32) HSD17B10
SCHEMBL9601666 0.69 KMT2A (0.41) HSD17B10SLC6A3
SCHEMBL45025 0.69 IDO1 (0.43) HSD17B10
SCHEMBL29501476 0.69 IDO1 (0.43) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262386-A Herbicides and plant growth regulators, weed control and positive influence on crop plants CIBA-GEIGY CORPORATION (US) 1993-11-16 US disclosed