SCHEMBL6689299

SCHEMBL6689299

Cc1[nH]c2ccc(CC(C)([AsH2])C3CCCCC3)cc2c1C(=O)OC(C)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TP53 P04637 3/20 0.32
USP2 O75604 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 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
SCHEMBL6689841 0.83 ALOX5 (0.34) LMNASMN1; SMN2GAAMAPTRAB9A
SCHEMBL6317151 0.79 KMT2A (0.36) LMNASMN1; SMN2GAAMAPTPKM
SCHEMBL6316994 0.77 LMNA (0.43) LMNASMN1; SMN2GAAMAPTPKM
SCHEMBL6315276 0.76 LMNA (0.42) LMNASMN1; SMN2GAAMAPTPKM
SCHEMBL6407520 0.75 RAB9A (0.36) LMNASMN1; SMN2GAARAB9AKDM4E
SCHEMBL6315846 0.75 SMN1; SMN2 (0.40) LMNASMN1; SMN2GAAMAPTPKM
SCHEMBL6692830 0.75 LMNA (0.35) LMNASMN1; SMN2GAAMAPTRAB9A
SCHEMBL6322114 0.74 ALDH1A1 (0.35) LMNASMN1; SMN2GAAMAPTRAB9A
SCHEMBL6315749 0.73 GAA (0.42) LMNASMN1; SMN2GAAMAPTPKM
SCHEMBL6316297 0.72 MAPK14 (0.40) LMNASMN1; SMN2GAAMAPTRAB9A

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-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed