SCHEMBL8054634

SCHEMBL8054634

C[S+]([O-])c1ccc(Sc2cc(F)ccc2C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
AGBL2 Q5U5Z8 1/20 0.32
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL9081120 0.83 PDE7A (0.40) PDE7AKDM4EALDH1A1AGBL2MAPT
SCHEMBL8068823 0.78 PDE7A (0.40) PDE7AKDM4EALDH1A1AGBL2MAPT
SCHEMBL8054621 0.75 ERN1 (0.38) KDM4EALDH1A1MAPT
SCHEMBL8066115 0.73 NFE2L2 (0.45)
SCHEMBL11819766 0.73 NFE2L2 (0.45)
SCHEMBL8066110 0.73 NFE2L2 (0.45)
SCHEMBL8064075 0.71 ATM (0.38) ALDH1A1MAPT
SCHEMBL8531815 0.71 SLC6A4 (0.47) KDM4EAGBL2
SCHEMBL19914059 0.71 ALDH1A1 (0.48) KDM4EALDH1A1HPGD
SCHEMBL6077141 0.71 ALDH1A1 (0.40) KDM4EALDH1A1

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
US-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 US disclosed
US-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 US disclosed