SCHEMBL6897512

SCHEMBL6897512

BrCCCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2A6 P11509 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
BCHE P06276 3/20 0.43
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL80282 0.94 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL9672316 0.89 SIGMAR1 (0.47) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL9129308 0.88 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL19116113 0.88 TDP1 (0.50) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL8422096 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL31036062 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL7621730 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL9588844 0.86 SIGMAR1 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL314040 0.81 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8
SCHEMBL30985268 0.81 CYP1A2 (0.56) SIGMAR1CYP1A2CYP2A6HDAC1HDAC8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 EP disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed
US-5948903-A Synthesis of 3-deazapurines ISIS PHARMACEUTICALS, INC. (US) 1999-09-07 US disclosed
US-5750692-A Synthesis of 3-deazapurines ISIS PHARMACEUTICALS, INC. (US) 1998-05-12 US disclosed
US-5587470-A 3-deazapurines ISIS PHARMACEUTICALS, INC. (US) 1996-12-24 US disclosed
EP-0604409-A4 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION. ISIS PHARMACEUTICALS INC (US) 1996-06-12 EP disclosed
US-5457191-A 3-deazapurines ISIS PHARMACEUTICALS, INC. (US) 1995-10-10 US disclosed
EP-0604409-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1994-07-06 EP disclosed
WO-1991010671-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1991-07-25 WO disclosed