SCHEMBL20729906

SCHEMBL20729906

CCCNC(=O)c1cccc(C(=O)NCC)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CNR1 P21554 1/20 0.46
P2RX7 Q99572 1/20 0.45
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 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
SCHEMBL15580847 0.95 LMNA (0.62) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL19661316 0.91 LMNA (0.56) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL31432032 0.88 LMNA (0.59) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL12308127 0.86 HPGD (0.55) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL28220099 0.84 KDM4E (0.61) LMNAHPGDALDH1A1KDM4ECNR1
SCHEMBL18247275 0.84 P2RX7 (0.64) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL22485568 0.84 BRD4 (0.55) LMNAL3MBTL1GAAHPGDALDH1A1
SCHEMBL18157897 0.84 LMNA (0.68) LMNAHPGDTP53SMN1; SMN2NPC1
SCHEMBL24638032 0.83 LMNA (0.49) LMNAL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL18246760 0.81 CYP1A2 (0.57) LMNAL3MBTL1GAAHPGDALDH1A1

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-20200199369-A9 LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS SETA BIOMEDICALS, LLC 2020-06-25 US disclosed
US-20190048196-A1 LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS SETA BIOMEDICALS LLC (US) 2019-02-14 US disclosed