SCHEMBL6427191

SCHEMBL6427191

Clc1nccc2sc(Br)cc12.O=C(O)N1CCN(c2nccc3sc(Br)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MALT1 Q9UDY8 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY12 Q9H244 1/20 0.34
NAMPT P43490 1/20 0.34
TRPA1 O75762 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
SCHEMBL1774258 0.93 RECQL (0.41) ALDH1A1LMNAMALT1RECQLHSD17B10
SCHEMBL1776396 0.89 RECQL (0.39) ALDH1A1LMNAMALT1RECQLHSD17B10
SCHEMBL1775118 0.77 KIT (0.48)
SCHEMBL1774726 0.76 F2RL3 (0.35) LMNACYP3A4
SCHEMBL30456808 0.76 F2RL3 (0.35) LMNACYP3A4
SCHEMBL3689407 0.76 HRH4 (0.51) ALDH1A1
SCHEMBL1775680 0.74 PDE10A (0.46) KMT2AMEN1
SCHEMBL2331200 0.73 MALT1 (0.42) ALDH1A1MALT1KMT2AMEN1TRPA1
SCHEMBL13169905 0.73 HTR2C (0.59)
SCHEMBL7062965 0.72 MEN1 (0.56) ALDH1A1LMNAKMT2AKDM4EMEN1

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-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO disclosed