SCHEMBL6160625

SCHEMBL6160625

O=C(N1CCc2ccc(S(=O)(=O)N3CCOCC3)cc2C1)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.76
ESR1 P03372 3/20 0.57
ESR2 Q92731 3/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTR2C P28335 1/20 0.55
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.51
SPR P35270 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
AKR1C3 P42330 1/20 0.46
PNMT P11086 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL18701651 0.89 PKM (0.60) PKMALDH1A1HPGDHSD17B10HTR2C
SCHEMBL4394801 0.85 ALDH1A1 (0.60) PKMALDH1A1HPGDHSD17B10HTR2C
SCHEMBL2993408 0.83 ESR1 (0.68) PKMESR1ESR2HPGDLMNA
SCHEMBL11477876 0.82 ESR1 (0.67) PKMESR1ESR2HPGDLMNA
SCHEMBL30408119 0.81 ESR1 (0.65) PKMESR1ESR2HPGDLMNA
SCHEMBL20681402 0.81 ESR1 (0.65) PKMESR1ESR2PNMT
SCHEMBL490066 0.81 ESR1 (0.65) PKMESR1ESR2HPGDLMNA
SCHEMBL30770403 0.81 ESR1 (0.65) PKMESR1ESR2PNMT
SCHEMBL8277232 0.81 ESR1 (0.65) PKMESR1ESR2PNMT
SCHEMBL25730136 0.81 PKM (0.62) PKMESR1ESR2ALDH1A1TSHR

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed