SCHEMBL7949941

SCHEMBL7949941

O=C1c2ccccc2C(=O)N1CCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 1/20 0.51
HTR1A P08908 1/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ACHE P22303 4/20 0.44

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
SCHEMBL28261467 0.80 HSD17B10 (0.55) TDP1L3MBTL1HSD17B10HTR1AKDM4E
SCHEMBL24575662 0.80 TDP1 (0.53) TDP1L3MBTL1ACHE
SCHEMBL6504771 0.79 L3MBTL1 (0.55) TDP1L3MBTL1HSD17B10HTR1AACHE
SCHEMBL8178771 0.76 TDP1 (0.62) TDP1L3MBTL1HSD17B10ACHE
SCHEMBL8178781 0.76 TDP1 (0.62) TDP1L3MBTL1HSD17B10KDM4ECYP1A2
SCHEMBL10956675 0.76 TDP1 (0.61) TDP1L3MBTL1HSD17B10HTR1AKDM4E
SCHEMBL8189201 0.76 TDP1 (0.66) TDP1L3MBTL1CYP1A2ACHE
SCHEMBL8079751 0.76 LMNA (0.55) TDP1L3MBTL1HSD17B10HTR1AKDM4E
SCHEMBL29263618 0.75 HSD17B10 (0.77) TDP1L3MBTL1HSD17B10HTR1AKDM4E
SCHEMBL7949955 0.75 CCR1 (0.50) TDP1L3MBTL1HSD17B10KDM4ECYP1A2

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