SCHEMBL14878422

SCHEMBL14878422

CCOC(=O)N1CCN(CCS(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)c(Oc4ccc(Cl)cc4)c(F)c3)[C@@H](C(N)=O)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38

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
SCHEMBL12905483 0.93 POLB (0.43) POLBHRH2HRH1MAPTLMNA
SCHEMBL778936 0.91 MMP1 (0.45) POLBLMNA
SCHEMBL14878440 0.91 ALDH1A1 (0.37) LMNAGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL14878433 0.89 ALDH1A1 (0.38) POLBMAPTGAAALDH1A1KMT2A
SCHEMBL14878477 0.88 POLB (0.43) POLBHRH2HRH1MAPTLMNA
SCHEMBL14878421 0.87 GAA (0.36) MAPTLMNAGAAALDH1A1KMT2A
SCHEMBL14959560 0.87 ALDH1A1 (0.36) MAPTLMNAGAAALDH1A1KMT2A
SCHEMBL12905480 0.83 ALDH1A1 (0.37) LMNAALDH1A1KMT2APSEN1PSEN2
SCHEMBL14878449 0.83 MMP1 (0.38) HRH2HRH1KMT2ACYP3A4PSEN1
SCHEMBL14878434 0.83 MMP1 (0.36) LMNAALDH1A1KMT2AMEN1

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-8426415-B2 Human ADAM-10 inhibitors SYMPHONY EVOLUTION, INC. (US) 2013-04-23 US disclosed