SCHEMBL8052504

SCHEMBL8052504

CC(=O)Oc1cccc2c1CCCC(=S)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
PTGS2 P35354 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 2/20 0.37
PTPN1 P18031 1/20 0.37
GBA1 P04062 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL7730049 0.86 MAPT (0.44) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL10569911 0.79 ADRB2 (0.50) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL2878709 0.79 PRMT5 (0.40) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL6687227 0.76 MAPK1 (0.41) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL7206062 0.75 RXRA (0.50) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL5734961 0.75 DRD2 (0.46) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL9404798 0.72 MAPK1 (0.39) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL17596594 0.72 RXRA (0.50) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL11805157 0.72 MRGPRX4 (0.52) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL5833456 0.71 RXRA (0.49) MAPK1KDM4EHSD17B10ALDH1A1TSHR

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-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed