SCHEMBL13091569

SCHEMBL13091569

Nc1cccc(S(=O)(=O)CCN2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LOX P28300 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ PKM P14618 3/20 0.42
▸ PKLR P30613 1/20 0.42
▸ CNR1 P21554 1/20 0.40
▸ HTR7 P34969 1/20 0.40

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
SCHEMBL13408045 0.86 MEN1 (0.69) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL56319 0.81 LOX (0.57) MEN1KMT2AALDH1A1TSHRLOX
SCHEMBL13604236 0.81 KMT2A (0.71) MEN1KMT2AALDH1A1LOXSIGMAR1
SCHEMBL14476103 0.79 MEN1 (0.73) MEN1KMT2AALDH1A1LOXSIGMAR1
SCHEMBL2854997 0.79 SIGMAR1 (0.59) TSHRLMNASIGMAR1L3MBTL1
SCHEMBL4632689 0.79 CARM1 (0.53) MEN1KMT2ALMNACA1CA2
SCHEMBL2850490 0.77 L3MBTL1 (0.58) TSHRLMNASIGMAR1L3MBTL1
SCHEMBL5431476 0.75 SIGMAR1 (0.59) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL264656 0.73 ALDH1A1 (0.67) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL29656296 0.73 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 — — EP disclosed
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