SCHEMBL8699460

SCHEMBL8699460

CCc1cc(N(C(=O)S)c2ccccc2)c(OC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
GRM1 Q13255 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.33
RAB9A P51151 1/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7626374 0.90 MEN1 (0.40) TSHRMEN1KMT2ALMNAGRM1
SCHEMBL8699467 0.86 TSHR (0.36) TSHRMEN1KMT2ALMNAGRM1
SCHEMBL8706000 0.86 TSHR (0.44) TSHRMEN1KMT2ALMNAGAA
SCHEMBL8699760 0.79 ALDH1A1 (0.39) TSHRMEN1KMT2ALMNAGRM1
SCHEMBL8699064 0.78 L3MBTL1 (0.39) TSHRMEN1KMT2AGRM1GAA
SCHEMBL8701288 0.77 ALDH1A1 (0.40) TSHRMEN1KMT2AGRM1GAA
SCHEMBL7628968 0.76 MEN1 (0.46) TSHRMEN1KMT2ALMNAGAA
SCHEMBL12934685 0.73 C5AR1 (0.36) LMNAGAAMAPTSMN1; SMN2RAB9A
SCHEMBL9016302 0.72 GRM1 (0.38) TSHRMEN1KMT2AGRM1GAA
SCHEMBL8699309 0.72 TSHR (0.39) TSHRMEN1KMT2ALMNAGAA

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