SCHEMBL28016208

SCHEMBL28016208

CC(=O)Oc1ccc(N)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
FLT3 P36888 1/20 0.38
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GLA P06280 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CA2 P00918 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
ADORA2A P29274 1/20 0.33
ELANE P08246 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33

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
SCHEMBL7448691 0.80 KDM4E (0.37) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL28980176 0.79 KMT2A (0.43) LMNAKDM4EGAAPOLBGLA
SCHEMBL6754107 0.77 LMNA (0.43) LMNAFLT3CA12CA9KDM4E
SCHEMBL27523196 0.75 KDM4E (0.38) LMNAFLT3CA12CA9KDM4E
SCHEMBL27487969 0.75 KMT2A (0.44) LMNAFLT3CA12CA9KDM4E
SCHEMBL1249499 0.75 KDM4E (0.39) LMNAFLT3CA12CA9KDM4E
SCHEMBL17077645 0.75 CYP2E1 (0.35) LMNAFLT3CA12CA9KDM4E
SCHEMBL27669264 0.74 NQO2 (0.41) LMNAKDM4ECYP19A1ALDH1A1HPGD
SCHEMBL6229622 0.73 TDP1 (0.51) LMNAKDM4EGAAPOLBTDP1
SCHEMBL27839207 0.73 LMNA (0.36) LMNAFLT3CA12CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104540835-A Imidazothiadiazole derivatives as protease activated receptor 4 (par4) inhibitors for treating platelet aggregation BRISTOL MYERS SQUIBB CO 2015-04-22 CN disclosed