SCHEMBL19744733

SCHEMBL19744733

O=C(c1ccccc1SCc1ccco1)N1CCN(c2ncccn2)CC1.O=CN1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.49
KDM4E B2RXH2 6/20 0.49
LMNA P02545 10/20 0.49
HTT P42858 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 7/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
SLC6A7 Q99884 1/20 0.41
SCN9A Q15858 1/20 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
SCHEMBL19746916 0.83 LMNA (0.61) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20964545 0.77 LMNA (0.59) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20965398 0.75 LMNA (0.57) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20964626 0.74 LMNA (0.57) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20964633 0.74 LMNA (0.57) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20965423 0.74 LMNA (0.57) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20965401 0.74 LMNA (0.68) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL26298353 0.70 KDM4E (0.56) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL31410490 0.69 KDM4E (0.55) SMN1; SMN2KDM4ELMNAHTTL3MBTL1
SCHEMBL20964652 0.68 LMNA (0.63) SMN1; SMN2KDM4ELMNAHTTL3MBTL1

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
EP-3471729-A1 THERAPEUTIC COMPOUNDS Rutgers, the State University of New Jersey (US) 2019-04-24 EP disclosed
WO-2017222930-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-12-28 WO disclosed