SCHEMBL27733728

SCHEMBL27733728

C=CC(c1cccc2cccnc12)S(=O)(=O)n1c(C(C)C(=O)O)cc2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 2/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ SLC40A1 Q9NP59 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ PPARD Q03181 2/20 0.33

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
SCHEMBL28770822 0.89 RAB9A (0.37) NTSR1KMT2AMEN1HSP90AA1POLB
SCHEMBL27713371 0.85 PPARG (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733855 0.84 RECQL (0.41) KMT2AMEN1RECQLPPARGPPARA
SCHEMBL28775103 0.81 MEN1 (0.41) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL27733786 0.81 PPARG (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27733784 0.80 PSEN1 (0.42) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL27713457 0.79 PSEN1 (0.46) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL27713686 0.79 PPARG (0.41) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL28770843 0.78 PPARG (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27713338 0.77 PSEN1 (0.40) KMT2AMEN1PSEN1PSEN2APH1B

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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