SCHEMBL15076093

SCHEMBL15076093

C=C(N1CCOCC1)C(F)(F)Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 3/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 2/20 0.37
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PHGDH O43175 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FAAH O00519 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL18288344 0.82 MEN1 (0.41) AKR1C3MEN1TP53KMT2AMGLL
SCHEMBL15076114 0.79 ALDH1A1 (0.35) MEN1TP53KMT2AMLYCDALDH1A1
SCHEMBL16683327 0.74 SMN1; SMN2 (0.47) AKR1C3MEN1TP53KMT2AMGLL
SCHEMBL800726 0.73 SMN1; SMN2 (0.44) MEN1TP53KMT2AMGLLCA12
SCHEMBL18288193 0.69
SCHEMBL5928898 0.68 CA12 (0.48) MEN1TP53KMT2AMGLLCA12
SCHEMBL20319495 0.67 CA12 (0.38) AKR1C3MEN1TP53KMT2AMGLL
SCHEMBL8274668 0.66
SCHEMBL23660970 0.65 CA12 (0.41) AKR1C3MEN1TP53KMT2AMGLL
SCHEMBL24070337 0.65 CA12 (0.41) MEN1TP53KMT2AMGLLCA12

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
WO-2013092850-A1 PROCESS FOR MANUFACTURING ARYLOXYACETAMIDES BASF SE (DE) 2013-06-27 WO disclosed