SCHEMBL28944347

SCHEMBL28944347

CCc1ccc(-c2cc3ccccc3n2C(=O)O)c(S(N)(=O)=O)c1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 6/20 0.34
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDR P35968 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL28781897 0.73 NR1H2 (0.34) NR1H2MTNR1AMTNR1BKMT2AL3MBTL1
SCHEMBL28944346 0.70 NR1H2 (0.54) NR1H2
SCHEMBL27751305 0.70 ALDH1A1 (0.41) ALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL28781898 0.67 — —
SCHEMBL15971194 0.67 CNR2 (0.41) NR1H2MTNR1AMTNR1BPOLBKMT2A
SCHEMBL27772022 0.66 BCHE (0.35) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL8187971 0.62 OXER1 (0.43) ALDH1A1KDM4EL3MBTL1
SCHEMBL28781895 0.61 NR1H2 (0.56) NR1H2ALDH1A1L3MBTL1
SCHEMBL2078648 0.59 ALDH1A1 (0.42) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL16593934 0.59 KMT2A (0.41) KMT2ASMN1; SMN2CNR1CNR2

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
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 — — CN disclosed
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