SCHEMBL6588992

SCHEMBL6588992

COc1ccc(CN(C=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 5/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
HTR1E P28566 1/20 0.36
NTSR1 P30989 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
S1PR3 Q99500 1/20 0.36
FBP1 P09467 2/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 5/20 0.35

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
SCHEMBL6586587 0.91 BRAF (0.35) SMN1; SMN2MAPTLMNAHSD17B10HPGD
SCHEMBL6589050 0.89 HSP90AA1 (0.35) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL6586551 0.86 AURKA (0.36) MAPTALDH1A1HSD17B10TP53PDE4A
SCHEMBL6590772 0.85 MAP2K4 (0.33) GAA
SCHEMBL2961042 0.82 L3MBTL1 (0.44) SMN1; SMN2MAPTTSHRMAPK1ALDH1A1
SCHEMBL6586575 0.82 MAPT (0.35) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL6591159 0.80 TTK (0.35) LMNAMEN1KMT2A
SCHEMBL6586589 0.77 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTSHRMAPK1ALDH1A1
SCHEMBL6198210 0.76 HTR2A (0.44) SMN1; SMN2MAPTTSHRMAPK1ALDH1A1
SCHEMBL6591549 0.74 GAA (0.37) MAPTALDH1A1NPSR1USP2CYP3A4

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
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed