SCHEMBL6002818

SCHEMBL6002818

C=C/C=[C]\c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADRA2A P08913 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL719079 0.76 IDO1 (0.50) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL1306077 0.73 MAPT (0.49) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL492446 0.72 PSMB8 (0.53) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL5092877 0.72 IDO1 (0.50) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL15874315 0.72 IDO1 (0.50) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL3096380 0.72 IDO1 (0.50) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL30938811 0.72 PSMB8 (0.53) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL29800442 0.72 IDO1 (0.50) IDO1L3MBTL1TP53MAPTALDH1A1
SCHEMBL221981 0.72 ALDH1A1 (0.51) IDO1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL719081 0.72 MAPT (0.56) IDO1L3MBTL1MAPTALDH1A1RAB9A

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed