SCHEMBL8699467

SCHEMBL8699467

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRM1 Q13255 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31

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 0.89 MEN1 (0.40) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8699460 0.86 TSHR (0.39) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8706005 0.84 MEN1 (0.40) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8699760 0.78 ALDH1A1 (0.39) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8699064 0.77 L3MBTL1 (0.39) TSHRMEN1KMT2AGRM1POLB
SCHEMBL8701288 0.75 ALDH1A1 (0.40) TSHRMEN1KMT2ASMN1; SMN2GRM1
SCHEMBL12934685 0.74 C5AR1 (0.36) MAPTSMN1; SMN2GAALMNAALDH1A1
SCHEMBL7628968 0.74 MEN1 (0.46) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8706000 0.72 TSHR (0.44) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9016302 0.71 GRM1 (0.38) TSHRMEN1KMT2ASMN1; SMN2GRM1

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