SCHEMBL6003625

SCHEMBL6003625

CCCCON(C(=O)OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 5/20 0.45
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 2/20 0.39
JAK2 O60674 1/20 0.39
PAX8 Q06710 1/20 0.39
RECQL P46063 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6002764 0.94 KMT2A (0.47) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6002692 0.94 KMT2A (0.47) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6002360 0.94 KMT2A (0.47) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6002265 0.94 KMT2A (0.47) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6003620 0.86 TSHR (0.41) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6002982 0.85 TSHR (0.46) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6002978 0.84 TSHR (0.45) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL8395346 0.83 CYP3A4 (0.44) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL8395345 0.83 TSHR (0.44) L3MBTL1TDP1KMT2AALDH1A1TSHR
SCHEMBL6001172 0.81 TSHR (0.47) L3MBTL1TDP1KMT2AALDH1A1TSHR

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