SCHEMBL3115283

SCHEMBL3115283

Cc1cc(C)cc(Oc2cc(Br)ccc2S(=O)(=O)N2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.44
LMNA P02545 3/20 0.43
MCOLN3 Q8TDD5 1/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 2/20 0.39
BRD2 P25440 2/20 0.39
BRD3 Q15059 2/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.38
HTR6 P50406 1/20 0.37
EPAS1 Q99814 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL2819366 0.91 KMT2A (0.54) ALDH1A1KMT2AGAALMNAUSP2
Hydrochloric Acid SCHEMBL3008966 0.89 KMT2A (0.53) ALDH1A1KMT2AGAALMNAUSP2
SCHEMBL2823333 0.89 ALDH1A1 (0.59) ALDH1A1KMT2AGAALMNAMCOLN3
SCHEMBL2820535 0.86 KMT2A (0.64) ALDH1A1KMT2AGAAMCOLN3USP2
Hydrochloric Acid SCHEMBL3122697 0.85 KMT2A (0.62) ALDH1A1KMT2AGAAMCOLN3USP2
SCHEMBL2821865 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AGAALMNAMCOLN3
SCHEMBL2818870 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMCOLN3USP2
SCHEMBL2823053 0.82 L3MBTL1 (0.48) ALDH1A1KMT2ALMNAMCOLN3HTT
Hydrochloric Acid SCHEMBL2823218 0.81 L3MBTL1 (0.47) ALDH1A1KMT2ALMNAMCOLN3HTT
SCHEMBL2821664 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AGAAUSP2HTT

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-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 US claimed