SCHEMBL8699109

SCHEMBL8699109

COc1ncccc1N(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
SLC13A5 Q86YT5 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2006064 0.76 SLC13A5 (0.41) TDP1SLC13A5TSHRNPSR1ALDH1A1
SCHEMBL713040 0.76 PTGIR (0.51) TDP1KMT2AMEN1TSHRNPSR1
SCHEMBL21598413 0.75 TDP1 (0.40) TDP1SLC13A5NPSR1ALDH1A1GAA
SCHEMBL10994586 0.74 LMNA (0.50) TDP1KMT2AMEN1TSHRALDH1A1
SCHEMBL16812908 0.73 APLNR (0.43) TDP1SLC13A5ALDH1A1L3MBTL1KDM4E
SCHEMBL17329609 0.73 HTT (0.41) KMT2ATSHRNPSR1ALDH1A1GAA
SCHEMBL7628968 0.72 MEN1 (0.46) TDP1KMT2AMEN1TSHRNPSR1
SCHEMBL16487052 0.72 KMT2A (0.53) TDP1KMT2AALDH1A1GAAMAPT
SCHEMBL24683219 0.71 APLNR (0.44) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL6114094 0.71 SLC13A5 (0.36) TDP1SLC13A5ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed