SCHEMBL14419475

SCHEMBL14419475

Cc1cc(S(=O)(=O)N2CCCC2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
PKM P14618 3/20 0.66
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
RAB9A P51151 1/20 0.59
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
HTT P42858 3/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6034118 0.87 PKM (0.58) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL5627956 0.86 SMN1; SMN2 (0.69) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL9796209 0.85 ALDH1A1 (0.67) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL17790336 0.83 ALDH1A1 (0.66) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL29859274 0.83 ALDH1A1 (0.66) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL14501508 0.82 MEN1 (0.66) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL16492273 0.82 MEN1 (0.66) ALDH1A1PKMMEN1KMT2ALMNA
SCHEMBL20526493 0.81 KDM4E (0.63) ALDH1A1MEN1KMT2ARAB9AUSP2
SCHEMBL30872560 0.81 HTT (0.51) ALDH1A1PKMMEN1KMT2AMCOLN3
SCHEMBL16492268 0.80 ALDH1A1 (0.71) ALDH1A1PKMMEN1KMT2ALMNA

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
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed