SCHEMBL6002127

SCHEMBL6002127

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
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 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
SCHEMBL8351572 1.00 TSHR (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL27338617 1.00 TSHR (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL6003116 0.98 LTA4H (0.41) TSHRLMNAALDH1A1NPC1JAK2
SCHEMBL6002413 0.93 LTA4H (0.41) TSHRALDH1A1NPC1JAK2RAB9A
SCHEMBL27629475 0.92 SIGMAR1 (0.42) NPC1JAK2RAB9APAX8
SCHEMBL21051141 0.84 SMN1; SMN2 (0.37) TSHRKDM4E
SCHEMBL27610392 0.80 KDM4E (0.30) KDM4E
SCHEMBL509868 0.79 ALDH1A1 (0.38) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL11207463 0.78 ESR1 (0.34) TSHRLMNAALDH1A1TP53
SCHEMBL28337807 0.78 LTA4H (0.46) 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 3 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
EP-0319999-A2 Silver halide photographic materials Fuji Photo Film Co., Ltd. (JP) 1989-06-14 EP disclosed