SCHEMBL24784205

SCHEMBL24784205

CCCC(=O)N(C)CCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.41
THRB P10828 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.39
PAOX Q6QHF9 1/20 0.39

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
SCHEMBL2811457 0.91 GLA (0.44) KMT2AMEN1RAB9ANPC1GLA
SCHEMBL7003667 0.87 GLA (0.44) KMT2AMEN1RAB9ANPC1GLA
SCHEMBL8190981 0.83 KMT2A (0.46) KMT2AMEN1RAB9ANPC1GLA
SCHEMBL10254267 0.80 GLA (0.53) KMT2AMEN1RAB9AGLASMN1; SMN2
SCHEMBL259485 0.80 GLA (0.47) KMT2AMEN1GLASMN1; SMN2ALDH1A1
SCHEMBL26579714 0.80 GLA (0.52) KMT2AMEN1RAB9AGLASMN1; SMN2
SCHEMBL22282225 0.79 TSHR (0.47) KMT2AMEN1RAB9ANPC1GLA
SCHEMBL29889549 0.78 SMN1; SMN2 (0.44) KMT2AMEN1GLASMN1; SMN2ALDH1A1
SCHEMBL3673101 0.78 GLA (0.46) KMT2AMEN1RAB9AGLASMN1; SMN2
SCHEMBL11243579 0.77 THRB (0.45) KMT2AMEN1ALDH1A1THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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