SCHEMBL8549283

SCHEMBL8549283

COc1cccc(OC)c1C(=O)Nc1cc2ccccc2nc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 6/20 0.49
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL261957 0.82 MAPT (0.49) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL8552944 0.80 RAB9A (0.54) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL846695 0.78 TRPV1 (0.58) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL6964824 0.75 ALDH1A1 (0.51) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL6956521 0.74 MAPT (0.42) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL6966945 0.74 MAPT (0.57) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL22641580 0.73 TLR8 (0.46) MAPTRAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL21311190 0.72 KMT2A (0.60) MAPTKMT2AALDH1A1GAAMAPK1
SCHEMBL3772211 0.71 NPC1 (0.67) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL180365 0.70 TLR8 (0.65) MAPTRAB9ASMN1; SMN2KMT2ANPC1

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
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed