SCHEMBL30133014

SCHEMBL30133014

COc1ccc(-c2noc(-c3ccc(NCCCN4CCC(C)CC4)nn3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
CXCR1 P25024 2/20 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
SCHEMBL24784179 1.00 TSHR (0.57) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30133020 0.91 ACP1 (0.48) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24783591 0.91 ACP1 (0.48) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30133015 0.90 CXCR1 (0.51) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24783691 0.90 ACP1 (0.49) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24783593 0.90 CXCR1 (0.51) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24783592 0.90 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24784177 0.85 ACHE (0.51) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL24784175 0.84 CXCR1 (0.48) TSHRALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL24784178 0.83 NPC1 (0.56) TSHRKMT2AMEN1ALDH1A1HTT

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