SCHEMBL13957916

SCHEMBL13957916

O=C(O)c1cc(-c2ccsc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
LMNA P02545 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
PDE10A Q9Y233 1/20 0.70
DHODH Q02127 5/20 0.67
POLB P06746 1/20 0.63
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
TACR3 P29371 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PLA2G1B P04054 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL28677890 0.85 TACR3 (0.67) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL7588217 0.83 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL29376617 0.83 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL25519 0.83 KDM4E (1.00) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL27442845 0.83 TACR3 (0.47) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL7507110 0.82 RXFP1 (0.62) KDM4EDHODHPOLBNPC1MEN1
Cinchophen SCHEMBL10757475 0.82 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL4805149 0.82 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH
Cinchophen SCHEMBL4464779 0.82 KDM4E (0.97) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL18746 0.81 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10ADHODH

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-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed