SCHEMBL10239406

SCHEMBL10239406

C[C@@H]1CCCN(C(=O)c2ccccc2F)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 3/20 0.64
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK14 Q16539 1/20 0.51
HSD11B1 P28845 1/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL10720887 0.90 RECQL (0.63) SMN1; SMN2HPGDMEN1KMT2AGAA
SCHEMBL10330514 0.84 HTT (0.65) SMN1; SMN2HPGDKMT2AGAARECQL
SCHEMBL3455477 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HPGDKDM4EKMT2AGAA
SCHEMBL13503962 0.82 KDM4E (0.84) SMN1; SMN2HPGDKDM4EMEN1KMT2A
SCHEMBL25432112 0.80 TSHR (0.70) SMN1; SMN2HPGDKDM4EMEN1KMT2A
SCHEMBL10396663 0.80 HPGD (0.74) SMN1; SMN2HPGDKDM4EMEN1KMT2A
SCHEMBL24016862 0.80 LMNA (0.54) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL18801768 0.80 LMNA (0.54) SMN1; SMN2HPGDMEN1KMT2ARECQL
SCHEMBL30334082 0.79 MEN1 (0.61) KDM4EMEN1KMT2ATSHRHTT
SCHEMBL18166095 0.79 RECQL (0.75) SMN1; SMN2HPGDMEN1KMT2ARECQL

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-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 WO disclosed