SCHEMBL5748337

SCHEMBL5748337

O=CCc1cc(-c2ccc(Cl)c(Cl)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOTUM Q6P988 3/20 0.45
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 1/20 0.40
KMO O15229 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL11612160 0.81 NOTUM (0.50) L3MBTL1MAPTPOLBTDP1NOTUM
SCHEMBL14829400 0.78 RAB9A (0.50) MAPTPOLBNOTUMSMN1; SMN2RAB9A
SCHEMBL3221069 0.78 L3MBTL1 (0.48) L3MBTL1MAPTPOLBTDP1NOTUM
SCHEMBL3224943 0.73 NOTUM (0.50) L3MBTL1MAPTPOLBTDP1NOTUM
SCHEMBL3222545 0.72 L3MBTL1 (0.45) L3MBTL1MAPTPOLBTDP1NOTUM
SCHEMBL4125826 0.71 NOTUM (0.47) MAPTPOLBNOTUMSMN1; SMN2RAB9A
SCHEMBL3820935 0.71 MME (0.47) L3MBTL1POLBNOTUMSMN1; SMN2RAB9A
SCHEMBL16826415 0.70 KMO (0.50) L3MBTL1MAPTPOLBTDP1NOTUM
SCHEMBL13692212 0.70 AHR (0.46) L3MBTL1MAPTPOLBNOTUMSMN1; SMN2
SCHEMBL9829861 0.70 L3MBTL1 (0.49) L3MBTL1MAPTPOLBTDP1NOTUM

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-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed