Sugi Predict

Sugi Predict / Compounds / SCHEMBL3980346

SCHEMBL3980346

SCHEMBL3980346

CC(C)Cc1nc2cc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)ccc2[nH]1.Cc1nc(-c2nc3cc(Oc4c(Br)cc(CC(F)C(=O)O)cc4Br)ccc3[nH]2)c(C)o1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.33
▸ THRA P10827 10/20 0.32
▸ THRB P10828 10/20 0.32
▸ LDHA P00338 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
SCHEMBL4295203 0.94 THRB (0.34) THRATHRB
SCHEMBL3980351 0.93 PIN1 (0.32) PIN1THRATHRB
SCHEMBL3981706 0.88 THRA (0.39) PIN1THRATHRBLDHA
SCHEMBL3981701 0.88 THRA (0.39) PIN1THRATHRBLDHA
SCHEMBL3985944 0.88 THRA (0.39) PIN1THRATHRBLDHA
SCHEMBL3982085 0.79 GRIN1 (0.35) PIN1THRATHRBLDHA
SCHEMBL4299991 0.79 CHEK2 (0.43) —
SCHEMBL4305207 0.78 THRB (0.39) PIN1THRATHRBLDHA
SCHEMBL3984721 0.77 KMT2A (0.38) THRATHRB
SCHEMBL4304033 0.77 THRB (0.34) THRATHRB

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
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 — — EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 — — WO disclosed