SCHEMBL30133015

SCHEMBL30133015

COc1ccc(-c2noc(-c3ccc(NCCCN4CCN(C)CC4)nn3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.51
TSHR P16473 2/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FLT3 P36888 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL24783593 1.00 CXCR1 (0.51) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL24784175 0.94 CXCR1 (0.48) CXCR1TSHRSMN1; SMN2POLBGAA
SCHEMBL30133020 0.93 ACP1 (0.48) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL24783591 0.93 ACP1 (0.48) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL24783691 0.93 ACP1 (0.49) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL30133014 0.90 TSHR (0.57) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL24784179 0.90 TSHR (0.57) CXCR1TSHRKDM4ESMN1; SMN2POLB
SCHEMBL24784177 0.87 ACHE (0.51) TSHRSMN1; SMN2POLBALDH1A1ACHE
SCHEMBL24783592 0.87 TSHR (0.46) TSHRKDM4ESMN1; SMN2POLBMEN1
SCHEMBL24784178 0.86 NPC1 (0.56) TSHRKDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4352054-A1 COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-04-17 EP claimed
WO-2022261296-A1 COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-12-15 WO claimed
EP-4352054-A1 COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-04-17 EP disclosed
WO-2022261296-A1 COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-12-15 WO disclosed