SCHEMBL6989861

SCHEMBL6989861

CN(C)CCNC(=O)c1ccc2cc(Cc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.56
KMT2A Q03164 2/20 0.56
HRH4 Q9H3N8 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
HTR2C P28335 1/20 0.46
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.43
RHEB Q15382 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 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
SCHEMBL4737672 0.82 HDAC8 (0.47) ALOX15
SCHEMBL7491861 0.78 MAPT (0.45) KMT2AHPGDSMN1; SMN2LMNAHTT
SCHEMBL16380446 0.76 TMEM97 (0.65) KMT2AHPGDSMN1; SMN2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL27761670 0.75 TMEM97 (0.63) KMT2AHPGDSMN1; SMN2TMEM97SIGMAR1
SCHEMBL6088208 0.73 HDAC8 (0.54) CACNA1GKMT2AHRH4HRH3HPGD
SCHEMBL6989136 0.72 DAO (0.49) TMEM97SIGMAR1ALOX15RHEB
SCHEMBL5131169 0.71 HDAC6 (0.51) KDM4E
SCHEMBL31087896 0.70 MAOB (0.52) HTR2CALOX5ALDH1A1
SCHEMBL5132984 0.70 HDAC6 (0.51)
SCHEMBL4737264 0.70 HDAC6 (0.53)

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 4 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
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 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
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 WO disclosed