SCHEMBL28114713

SCHEMBL28114713

N#CBr.O=C1CC(O)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CRBN Q96SW2 2/20 0.34
CYP19A1 P11511 1/20 0.32
IDO1 P14902 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DDB1 Q16531 1/20 0.30
CREBBP Q92793 1/20 0.30
MAPK1 P28482 1/20 0.30

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
Bromide SCHEMBL603971 0.91 MAP3K14 (0.41) MAP3K14ALDH1A1CRBNCYP19A1IDO1
SCHEMBL15494454 0.89
SCHEMBL11288 0.89
Ammonia Solution, Strong SCHEMBL25176856 0.86
Hydrochloric Acid SCHEMBL3986242 0.86
Phosphine SCHEMBL22345181 0.86
SCHEMBL320576 0.86
SCHEMBL31244467 0.86
Carbimide SCHEMBL4969122 0.84 MAP3K14 (0.43) MAP3K14ALDH1A1CRBNCYP19A1IDO1
Hydrochloric Acid SCHEMBL28901164 0.84 MAP3K14 (0.46) MAP3K14CRBNCYP19A1IDO1L3MBTL1

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-101642725-B Fluid suction nozzle/dispensing head as micro centrifugal pipe OUSSO CLINICAL DIAGNOSIS CORP. (US) 2016-12-14 CN disclosed