SCHEMBL6002122

SCHEMBL6002122

CCCCCCON([C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
LTA4H P09960 1/20 0.40
CYP3A4 P08684 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8351569 1.00 TSHR (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL6003113 0.98 LTA4H (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL6002410 0.93 LTA4H (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL4634276 0.79 ALDH1A1 (0.38) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL27361074 0.78 ALDH1A1 (0.47) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL27616820 0.78 LTA4H (0.46) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL28194680 0.78 ALDH1A1 (0.47) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL28337807 0.78 LTA4H (0.46) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL28751604 0.76 LTA4H (0.44) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL27323565 0.75 TSHR (0.42) TSHRLMNAALDH1A1NPC1JAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
EP-0319999-A2 Silver halide photographic materials Fuji Photo Film Co., Ltd. (JP) 1989-06-14 EP disclosed