SCHEMBL22926087

SCHEMBL22926087

CCN(CC)C(=O)c1ccc(-c2ccc3c(C)n[nH]c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ABL1 P00519 6/20 0.47
BCR P11274 6/20 0.47
FLT3 P36888 1/20 0.46
LRRK2 Q5S007 2/20 0.46
GSK3B P49841 7/20 0.46
ITK Q08881 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL12907471 0.81 AAK1 (0.57) ABL1BCRGSK3B
SCHEMBL12907451 0.74 FGFR1 (0.70) GSK3B
SCHEMBL14397096 0.74 PDPK1 (0.53) ABL1BCRGSK3B
SCHEMBL22926176 0.74 ITK (0.66) HPGDALDH1A1MAPTFLT3LRRK2
SCHEMBL12907465 0.74 MAP2K4 (0.55) ABL1BCRGSK3B
SCHEMBL12907430 0.73 JAK2 (0.63) ABL1BCRGSK3B
SCHEMBL12907457 0.73 JAK2 (0.67) GSK3B
SCHEMBL16574176 0.72 HPGD (0.73) HPGDALDH1A1MAPTLMNAMEN1
SCHEMBL12907468 0.72 GSK3B (0.54) ALDH1A1MAPTABL1BCRGSK3B
SCHEMBL31746650 0.71 DYRK1A (0.52) HPGDALDH1A1ITKLMNAMEN1

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-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed