SCHEMBL11455802

SCHEMBL11455802

CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
LMNA P02545 3/20 0.73
TSHR P16473 2/20 0.73
HSD17B10 Q99714 2/20 0.73
KDM4E B2RXH2 1/20 0.73
HDAC1 Q13547 4/20 0.63
HDAC8 Q9BY41 3/20 0.63
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 1/20 0.57
HDAC4 P56524 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTR6 P50406 1/20 0.52
PKM P14618 1/20 0.51
NHERF1 O14745 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
AR P10275 1/20 0.50

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
SCHEMBL9224876 0.84 LMNA (0.70) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL8080896 0.84 AR (0.65) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL13742509 0.83 ALDH1A1 (0.53) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL11364586 0.82 KMT2A (0.69) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL11107041 0.82 TBXA2R (0.58) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL5842450 0.81 HPGD (0.63) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL5205017 0.81 HDAC1 (0.75) ALDH1A1LMNAKDM4EHDAC1HDAC8
SCHEMBL7782225 0.81 NHERF1 (0.76) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL117475 0.80 TSHR (0.67) ALDH1A1LMNATSHRHSD17B10KDM4E
SCHEMBL11107051 0.80 ALDH1A1 (0.49) ALDH1A1LMNATSHRHSD17B10KDM4E

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-4230703-A ANALGESICS; ANTIINFLAMMATORY AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-10-28 US disclosed