SCHEMBL9715512

SCHEMBL9715512

O=C(O)c1[nH]c(=O)[nH]c(=O)c1F.O=C1NC(=O)[C@H](F)[C@@H](C(=O)O)N1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.58
THRB P10828 1/20 0.58

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
SCHEMBL8148062 0.80 IDUA (0.39)
SCHEMBL8148061 0.80 IDUA (0.39)
SCHEMBL9715507 0.76 JAK2 (1.00) JAK2THRB
SCHEMBL44527 0.76 JAK2 (1.00) JAK2THRB
SCHEMBL10627886 0.74 JAK2 (0.96) JAK2THRB
SCHEMBL10629768 0.74 JAK2 (0.96) JAK2THRB
Water SCHEMBL147605 0.74 JAK2 (0.96) JAK2THRB
SCHEMBL17930149 0.61 JAK2 (0.67) JAK2THRB
Lithium Ion SCHEMBL10629765 0.60 JAK2 (0.64) JAK2THRB
SCHEMBL16742015 0.60 TSHR (0.46)

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
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP disclosed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP disclosed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO disclosed