SCHEMBL6183697

SCHEMBL6183697

COc1ccc(OC)c(CC(=O)Nc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
USP2 O75604 1/20 0.59
GLS O94925 2/20 0.57
SIGMAR1 Q99720 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
NPC1 O15118 1/20 0.52

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
SCHEMBL19427715 0.92 HSD17B10 (0.63) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL19427517 0.86 HSD17B10 (0.60) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL31393812 0.84 MEN1 (0.76) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL8049389 0.84 MEN1 (0.76) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL10340313 0.83 ALDH1A1 (0.65) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL19427716 0.83 KMT2A (0.69) MEN1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL19427444 0.82 ALDH1A1 (0.73) MEN1KMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL15643259 0.82 KMT2A (0.59) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL13485784 0.81 HSD17B10 (0.69) HIF1AMEN1KMT2ATSHRHSD17B10
SCHEMBL8639959 0.81 KDM4E (0.60) MEN1KMT2ATSHRHSD17B10SMN1; SMN2

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-1562919-A1 PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-08-17 EP disclosed
WO-2004041793-A1 PHENYLALKYL AND PYRIDYLALKYL PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-05-21 WO disclosed