SCHEMBL6990096

SCHEMBL6990096

CS(=O)(=O)Nc1ccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.49
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PPARA Q07869 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
NPY5R Q15761 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL18477010 0.77 LOXL2 (0.53) KIF11KDM4EALDH1A1HPGDKDM5A
SCHEMBL19360375 0.74 KDM4E (0.46) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL18440586 0.73 SRD5A2 (0.55) SMN1; SMN2SLC6A2KDM5AKDM4CKDM5B
SCHEMBL6992353 0.73 LOXL2 (0.49) KIF11KDM5AKDM4CKDM5B
SCHEMBL12096643 0.72 KLKB1 (0.44) KIF11KDM4EALDH1A1LMNAHTT
SCHEMBL9370958 0.72 MMP2 (0.56) MMP2MMP13ALDH1A1SMN1; SMN2
SCHEMBL9371502 0.72 MMP2 (0.53) MMP2MMP13KDM4EALDH1A1LMNA
SCHEMBL17027129 0.72 F2 (0.55) KIF11SMN1; SMN2KDM5AKDM4CKDM5B
SCHEMBL13656086 0.72 KIF11 (0.89) KIF11KDM4EALDH1A1LMNAHPGD
SCHEMBL9371043 0.71 MMP2 (0.52) MMP2MMP13KDM4EALDH1A1LMNA

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-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed