SCHEMBL3982085

SCHEMBL3982085

CC(C)Cc1nc2cc(Oc3c(Br)cc(C[C@H](F)C(=O)O)cc3Br)ccc2[nH]1.CS(=O)(=O)Nc1nc2cc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
THRA P10827 12/20 0.34
THRB P10828 12/20 0.34
PIN1 Q13526 3/20 0.33
LDHA P00338 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL4299290 0.94 THRA (0.36) GRIN1GRIN2BTHRATHRB
SCHEMBL3982088 0.93 GRIN1 (0.33) GRIN1GRIN2BTHRATHRBPIN1
SCHEMBL3981706 0.90 THRA (0.39) THRATHRBPIN1LDHA
SCHEMBL3985944 0.90 THRA (0.39) THRATHRBPIN1LDHA
SCHEMBL3981701 0.90 THRA (0.39) THRATHRBPIN1LDHA
SCHEMBL4305207 0.80 THRB (0.39) THRATHRBPIN1LDHA
SCHEMBL3980346 0.79 PIN1 (0.33) THRATHRBPIN1LDHA
SCHEMBL3978770 0.79 THRA (0.36) THRATHRBPIN1
SCHEMBL4302453 0.79 THRA (0.37) THRATHRB
SCHEMBL3979612 0.78 THRA (0.40) 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