SCHEMBL6219403

SCHEMBL6219403

CC[C](C)S(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.52
HSD11B1 P28845 2/20 0.50
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
S1PR2 O95136 1/20 0.44
PRNP P04156 1/20 0.44
MAPT P10636 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
HTR6 P50406 1/20 0.42

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
SCHEMBL27456891 0.79 PSIP1 (0.48) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL20299659 0.78 HSD11B1 (0.55) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL16015553 0.77 PSIP1 (0.50) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL5469289 0.77 SMN1; SMN2 (0.52) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL15062217 0.77 SMN1; SMN2 (0.52) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL3245447 0.75 SMN1; SMN2 (0.53) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL9043625 0.73 SMN1; SMN2 (0.48) PSIP1ALDH1A1TP53HTTHSD17B10
SCHEMBL9732594 0.73 SMN1; SMN2 (0.48) PSIP1HSD11B1ALDH1A1TP53HTT
Acetic Acid SCHEMBL28112958 0.71 PSIP1 (0.82) PSIP1HSD11B1ALDH1A1TP53HTT
SCHEMBL19392608 0.71 ALDH1A1 (0.53) PSIP1ALDH1A1TP53HTTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP disclosed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO disclosed