SCHEMBL7951004

SCHEMBL7951004

BrCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
KDM4E B2RXH2 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 3/20 0.48
ALOX15 P16050 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTT P42858 2/20 0.48
ALPL P05186 1/20 0.48
HSP90AA1 P07900 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL4849559 0.98 CCR1 (0.49) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL4849761 0.98 CCR1 (0.49) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL5367720 0.88 KDM4E (0.51) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL9756771 0.84 HRH1 (0.51) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL7949955 0.84 CCR1 (0.50) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL9680002 0.83 CCR1 (0.49) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL12131376 0.82 CCR1 (0.51) CCR1CCR5CCR8KDM4ESMN1; SMN2
SCHEMBL7949918 0.79 CCR1 (0.49) CCR1CCR5CCR8KDM4ESMN1; SMN2
Dipyridyl SCHEMBL699785 0.79 CCR1 (0.45) CCR1CCR5CCR8KDM4ESMN1; SMN2
Dipyridyl SCHEMBL5007665 0.79 CCR1 (0.45) CCR1CCR5CCR8KDM4ESMN1; 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
US-6258941-B1 METAL COMPLEX COVALENTLY LINKED TO NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE; COMPLEX IS CAPABLE OF HYDROLYZING RNA; SYNTHETIC RIBOZYMES/ANTISENSE AGENTS FOR GENE EXPRESSION INHIBITION WASHINGTON UNIVERSITY 2001-07-10 US disclosed
WO-1991019730-A1 RNA HYDROLYSIS/CLEAVAGE MONSANTO COMPANY (US) 1991-12-26 WO disclosed