SCHEMBL6003198

SCHEMBL6003198

[CH2]C=C(Cl)c1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
ESR1 P03372 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
ADRA1A P35348 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TCF4 P15884 1/20 0.50
CTNNB1 P35222 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CA1 P00915 5/20 0.47

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
SCHEMBL28858520 0.81 CES2 (0.56) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL28858524 0.81 CES2 (0.56) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL5194266 0.79 PDE4A (0.60) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL5194254 0.79 PDE4A (0.60) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL5194258 0.79 PDE4A (0.60) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL13579994 0.78 KDM4E (0.66) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL8023079 0.76 CES2 (0.55) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL11161016 0.76 TCF4 (0.56) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL11182680 0.76 TCF4 (0.56) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL11300893 0.76 MAPT (0.50) MAPTHPGDALDH1A1KDM4ESMN1; SMN2

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