SCHEMBL6263971

SCHEMBL6263971

[CH2]Sc1nnc(-c2ccc(O)cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 5/20 0.56
TP53 P04637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGS2 P35354 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
ACHE P22303 1/20 0.44
HTT P42858 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43

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
SCHEMBL6263973 0.81 HPGD (0.68) RAB9ASMN1; SMN2NPC1TP53NPSR1
SCHEMBL11333992 0.81 NPC1 (0.55) RAB9ASMN1; SMN2NPC1TP53NPSR1
SCHEMBL6245001 0.81 HPGD (0.67) RAB9ASMN1; SMN2NPC1NPSR1MAPK1
SCHEMBL9737564 0.80 RAB9A (0.58) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL6266686 0.77 NPC1 (0.68) RAB9ASMN1; SMN2NPC1TP53NPSR1
SCHEMBL12918768 0.74 SNCA (0.57) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL6737766 0.72 NPC1 (0.74) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL8058008 0.71 GPR84 (0.58) RAB9ASMN1; SMN2NPC1TP53HPGD
SCHEMBL12550898 0.71 KDM4E (0.66) RAB9ASMN1; SMN2NPC1TP53PTGS2
SCHEMBL9364714 0.71 ACHE (0.47) RAB9ASMN1; SMN2NPC1TP53NPSR1

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-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed