SCHEMBL13239683

SCHEMBL13239683

O=C(NCCc1cn(CCF)cn1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPB2 Q96IY4 5/20 0.37
CPB1 P15086 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL4701416 0.85 CPB2 (0.41) CPB2CPB1
SCHEMBL13256665 0.83 CPB2 (0.41) ALDH1A1CPB2CPB1MEN1KMT2A
SCHEMBL2328448 0.80 ALDH1A1 (0.44) ALDH1A1CPB2CPB1HTTCA12
SCHEMBL2040840 0.72 SIRT2 (0.50) L3MBTL1HTT
SCHEMBL1789627 0.71 CYP2C9 (0.58) CPB2CPB1L3MBTL1
SCHEMBL12662749 0.70 CPB2 (0.50) ALDH1A1CPB2CPB1
SCHEMBL15065061 0.70 CPB2 (0.47) ALDH1A1CPB2CPB1
SCHEMBL27938884 0.70 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12363417 0.70 TSHR (0.43) CPB2CPB1L3MBTL1
Hydrochloric Acid SCHEMBL2259317 0.70 TDP1 (0.59) CPB2CPB1L3MBTL1

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
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed