SCHEMBL6993941

SCHEMBL6993941

COc1cc(OC)c2[nH]c(Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
NPY5R Q15761 1/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4A O75164 1/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6992510 0.85 MTNR1A (0.50) LMNAMAPTKDM5AKDM5BTSHR
SCHEMBL6993755 0.78 LOXL2 (0.60) MAPTMEN1KMT2ACYP1A2CYP2E1
SCHEMBL6988327 0.76 HPGD (0.45) LMNAUSP2KDM5AKDM5BTSHR
SCHEMBL7490718 0.76 IMPDH2 (0.48) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL6989977 0.75 CYP1A2 (0.50) LMNAMAPTUSP2NPSR1TSHR
SCHEMBL6989384 0.71 DAO (0.45) MAPTUSP2MAPK1KMT2AL3MBTL1
SCHEMBL6990729 0.69 KDM4C (0.46) LMNAMAPTKDM5AKDM5BTSHR
SCHEMBL6992585 0.69 RHEB (0.53) MAPTMEN1KMT2A
SCHEMBL6988387 0.68 TUBB4A (0.47) MAPTUSP2TSHRMEN1KMT2A
SCHEMBL14880495 0.67 LTA4H (0.65) LMNAMAPTNPSR1TSHRMAPK1

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