SCHEMBL6991622

SCHEMBL6991622

NNC(=O)CCCCCN1C(=O)CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 5/20 0.57
ALPL P05186 1/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 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
SCHEMBL14071867 0.89 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL4414715 0.85 MAPT (0.48) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL19756303 0.83 SMN1; SMN2 (0.62) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL8763346 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL16847511 0.81 SMN1; SMN2 (0.60) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL26005683 0.80 SMN1; SMN2 (0.68) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL25586124 0.79 PTGS1 (0.64) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL2224805 0.79 PTGS1 (0.64) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL1064498 0.79 PTGS1 (0.64) SMN1; SMN2HPGDHTTALDH1A1MAPT
SCHEMBL16847513 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HPGDHTTALDH1A1ALPL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793497-B1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN KETTERING INST CANCER (US) 2003-02-12 EP disclosed
US-6020341-A Enediyne quinone imines and methods of preparation and use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2000-02-01 US disclosed
EP-0793497-A4 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN KETTERING INST CANCER (US) 1998-01-28 EP disclosed
EP-0793497-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF Sloan-Kettering Institute For Cancer Research (US) 1997-09-10 EP disclosed
US-5622958-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-04-22 US disclosed
WO-1996016655-A1 NOVEL ENEDIYNE QUINONE IMINES AND METHODS OF PREPARATION AND USE THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-06 WO disclosed