SCHEMBL8276407

SCHEMBL8276407

C=S(C)(=O)NNC(=O)c1ccc[n+](CC(=O)c2cccs2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.39
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
PABPC1 P11940 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC3 O15379 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6225447 0.91 RAB9A (0.42) RAB9ALMNACYP2C19ALDH1A1NPC1
SCHEMBL30206621 0.91 RAB9A (0.42) RAB9ALMNACYP2C19ALDH1A1NPC1
Hydrochloric Acid SCHEMBL28477049 0.90 RAB9A (0.41) RAB9ALMNACYP2C19ALDH1A1NPC1
Bromide SCHEMBL1194277 0.90 GLA (0.42) RAB9ALMNACYP2C19ALDH1A1NPC1
Hydrochloric Acid SCHEMBL287745 0.90 ALDH1A1 (0.43) RAB9ALMNAALDH1A1NPC1HSP90AA1
Bromide SCHEMBL29494160 0.90 GLA (0.42) RAB9ALMNACYP2C19ALDH1A1NPC1
SCHEMBL1194250 0.86 RAB9A (0.40) RAB9ALMNAALDH1A1NPC1KMT2A
Bromide SCHEMBL1194286 0.85 ALDH1A1 (0.40) RAB9ALMNACYP2C19ALDH1A1NPC1
SCHEMBL6227347 0.84 RAB9A (0.59) RAB9ALMNACYP2C19ALDH1A1NPC1
SCHEMBL6226248 0.84 RAB9A (0.40) RAB9ALMNAALDH1A1NPC1KMT2A

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-2006002983-A1 COMBINATION OF ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-01-12 WO disclosed