SCHEMBL8658490

SCHEMBL8658490

O=S(=O)(Nc1cc2c(cc1-c1ccc(F)c(C(F)(F)F)c1)OCO2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
PGAM1 P18669 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSPD1 P10809 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 0.41
HSPE1 P61604 2/20 0.41
GFER P55789 1/20 0.41
ACLY P53396 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
STAT3 P40763 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
CCR2 P41597 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL8659710 0.92 KIF11 (0.46) HPGDALDH1A1LMNAKDM4EGFER
SCHEMBL8661718 0.88 HPGD (0.46) HPGDALDH1A1LMNAKDM4EFFAR4
SCHEMBL8662990 0.88 HPGD (0.46) HPGDPGAM1HSPD1PTPN2PTPN1
SCHEMBL8663552 0.88 HPGD (0.51) HPGDALDH1A1LMNAKDM4EGFER
SCHEMBL8659128 0.86 HPGD (0.46) HPGDPGAM1ALDH1A1LMNAKDM4E
SCHEMBL8662978 0.86 HPGD (0.46) HPGDALDH1A1LMNAKDM4EFFAR4
SCHEMBL8663461 0.85 PGAM1 (0.48) PGAM1HSPD1PTPN2PTPN1PTPN5
SCHEMBL8659268 0.85 TSHR (0.48) HPGDALDH1A1LMNAKDM4EGFER
SCHEMBL8659417 0.85 HPGD (0.48) HPGDALDH1A1LMNAKDM4EGFER
SCHEMBL8657916 0.85 HPGD (0.48) HPGDALDH1A1LMNAKDM4EGFER

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-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed