SCHEMBL8699808

SCHEMBL8699808

COc1nc2c(cc1N(C(=O)O)c1ccccc1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
MAPT P10636 6/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 4/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GRM1 Q13255 1/20 0.35
RAB9A P51151 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
PPARG P37231 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
SCHEMBL7628968 0.76 MEN1 (0.46) NPC1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7626374 0.72 MEN1 (0.40) NPC1MAPTSMN1; SMN2LMNATSHR
SCHEMBL25279182 0.72 POLB (0.45) NPC1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8699309 0.72 TSHR (0.39) NPC1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6956149 0.69 ALDH1A1 (0.44) NPC1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL25274599 0.69 KDM4E (0.48) NPC1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL25229438 0.69 KMT2A (0.53) ALDH1A1SMN1; SMN2LMNAHTTTSHR
SCHEMBL8088990 0.68 MAPT (0.39) NPC1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL23090393 0.68 KDM4E (0.47) NPC1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL8699109 0.68 TDP1 (0.41) MAPTALDH1A1LMNATSHRMEN1

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 2 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
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