SCHEMBL7465822

SCHEMBL7465822

COC(=O)c1c(Cl)cc(Cl)cc1NC(=O)CSc1ncccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.53
TP53 P04637 7/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK10 P53779 1/20 0.47
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL7457921 0.86 MEN1 (0.62) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL7460357 0.84 L3MBTL1 (0.49) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL17622904 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL16264706 0.82 MEN1 (0.80) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL17622466 0.80 KMT2A (0.80) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL17622900 0.79 ALDH1A1 (0.66) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL17622776 0.79 TP53 (0.72) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL1514827 0.79 TDP1 (0.64) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL17622775 0.78 TDP1 (0.67) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL17622902 0.78 MEN1 (0.64) ALDH1A1HPGDMEN1KMT2ATDP1

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
EP-0869122-B1 Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof KOREA RES INST CHEM TECH (KR) 2002-12-04 EP disclosed
US-5990126-A 4-HYDROXY-QUINOLIN-2-ONE DERIVATIVES SUBSTITUTED AT POSITION 3 WITH A SUBSTITUTED AROMATIC- OR HETEROAROMATIC-SULFIDE GROUP; ANTAGONIST OF EXCITATORY AMINO ACID FOR NMDA RECEPTORS; TREATING EPILEPSY, STROKE, PARKINSON'S DISEASE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-11-23 US disclosed
EP-0869122-A1 Quinolinic sulfide derivatives acting as NMDA receptor antagonists and process for preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1998-10-07 EP disclosed