SCHEMBL27713445

SCHEMBL27713445

CCC(=O)OC(c1cc2cc(Br)ccc2[nH]1)S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 2/20 0.45
▸ PYGL P06737 2/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ PDGFRA P16234 2/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34

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
SCHEMBL27733782 0.88 KDM4E (0.43) FLT3PDGFRBPDGFRAALDH1A1GAA
SCHEMBL28770872 0.88 PDGFRB (0.43) BCAT1FLT3PDGFRBPDGFRAIDO1
SCHEMBL27713340 0.87 ATM (0.41) PYGLFLT3PDGFRBPDGFRAALDH1A1
SCHEMBL27713332 0.87 MEN1 (0.42) BCAT1PYGLCYP19A1ALDH1A1MAPT
SCHEMBL27713316 0.86 HRH3 (0.37) BCAT1PDGFRBPDGFRAALDH1A1MAPT
SCHEMBL27733691 0.85 ELANE (0.41) PDGFRBPDGFRAALDH1A1MAPTCYP1A2
SCHEMBL27713329 0.84 AR (0.39) PDGFRBPDGFRAALDH1A1MAPTPPARG
SCHEMBL27733871 0.83 KDM4E (0.44) BCAT1PDGFRBPDGFRAIDO1MAPT
SCHEMBL27733651 0.81 MMP2 (0.38) ALDH1A1MAPTPPARGNPSR1
SCHEMBL27713298 0.80 GPR27 (0.34) PYGLPDGFRBPDGFRAPPARGNPSR1

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 — — CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 — — CN disclosed
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