SCHEMBL6989981

SCHEMBL6989981

CC(=O)Nc1ccc2[nH]c(Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.50
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
CYP2C9 P11712 1/20 0.47
PYGL P06737 2/20 0.46
NHERF1 O14745 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7833259 0.80 MMP13 (0.58) MMP13LMNAHPGDSMN1; SMN2ROCK2
SCHEMBL6826452 0.78 LOXL2 (0.64) LMNAPYGLNHERF1SMN1; SMN2SIRT1
SCHEMBL6993438 0.78 SMN1; SMN2 (0.52) LMNAHPGDSMN1; SMN2SIRT1NPC1
SCHEMBL6987109 0.76 F2 (0.54) NHERF1SMN1; SMN2SIRT1ALDH1A1
SCHEMBL6994727 0.76 LOXL2 (0.57) HPGDSMN1; SMN2SIRT1NPC1ALDH1A1
SCHEMBL9530334 0.76 MEN1 (0.49) SMN1; SMN2SIRT1KMT2AMAPTMEN1
SCHEMBL12096730 0.74 SIRT1 (0.56) PYGLNHERF1SMN1; SMN2SIRT1NPC1
SCHEMBL6984195 0.73 LOXL2 (0.49) SMN1; SMN2SIRT1MAPT
SCHEMBL6989926 0.73 LOXL2 (0.49) SMN1; SMN2SIRT1
SCHEMBL6015700 0.72 MAOB (0.67) MMP13LMNAHPGDSMN1; SMN2ROCK2

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