SCHEMBL9847039

SCHEMBL9847039

CC(C)(C)C(=O)Nc1ccnc(Cc2ccccc2F)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
PLA2G1B P04054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TOP2A P11388 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
ANO1 Q5XXA6 2/20 0.39
NR3C2 P08235 1/20 0.38
RAB9A P51151 3/20 0.38
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38
NPY2R P49146 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
CETP P11597 1/20 0.36
MEN1 O00255 2/20 0.36

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
Maleic Acid SCHEMBL9847008 0.94 TOP2A (0.39) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B
SCHEMBL9846967 0.79 TOP2A (0.44) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B
SCHEMBL9659435 0.76 ALDH1A1 (0.45) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B
SCHEMBL10517984 0.76 ALDH1A1 (0.51) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B
SCHEMBL2209111 0.75 ALDH1A1 (0.49) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B
SCHEMBL9846989 0.73 TOP2A (0.43) LMNAALDH1A1TOP2ARAB9AKDM4E
SCHEMBL9846964 0.73 TOP2A (0.53) LMNASMN1; SMN2TOP2ARAB9AKDM4E
SCHEMBL23628473 0.69 CETP (0.47) LMNAALDH1A1SMN1; SMN2TOP2ARAB9A
SCHEMBL7089699 0.68 RAB9A (0.71) LMNAALDH1A1SMN1; SMN2PDK1PDK2
SCHEMBL9847042 0.67 ALDH1A1 (0.41) LMNAALDH1A1PLA2G1BSMN1; SMN2ATG4B

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
EP-0435222-A2 Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP disclosed