SCHEMBL5325540

SCHEMBL5325540

S=C(NCc1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.70
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 5/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 4/20 0.55
TDP1 Q9NUW8 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAOB P27338 2/20 0.52
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL5330099 0.82 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8031188 0.76 RAB9A (0.65) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL10619768 0.74 RAB9A (0.63) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL10619764 0.74 RAB9A (0.63) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28095616 0.73 RAB9A (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
Benzothiazyl Disulfide SCHEMBL28178074 0.73 ALDH1A1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28433258 0.73 ALDH1A1 (0.68) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14345990 0.72 L3MBTL1 (0.80) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28238554 0.72 L3MBTL1 (0.80) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12210186 0.71 HPGD (0.73) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT

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-2007138112-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed