SCHEMBL8141792

SCHEMBL8141792

C#Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ DPYD Q12882 1/20 0.34
▸ DHODH Q02127 14/20 0.33
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL8156264 0.80 JAK2 (0.52) JAK2THRBDPYDALDH1A1
SCHEMBL22783664 0.72 JAK2 (0.61) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL25391975 0.70 JAK2 (0.59) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL10962665 0.70 JAK2 (0.59) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL8148038 0.68 JAK2 (0.57) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL11130450 0.68 JAK2 (0.57) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL44527 0.68 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL190140 0.68 JAK2 (0.57) JAK2THRBDHODHALDH1A1
SCHEMBL9715507 0.68 JAK2 (1.00) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL122310 0.68 JAK2 (0.57) JAK2THRBDHODH

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 7 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 claimed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 — — EP claimed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 — — WO claimed
US-6159953-A Anti-malarial composition and method of use CATHOLIC UNIVERSITY OF AMERICA (US) 2000-12-12 — — US disclosed
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
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