SCHEMBL4737730

SCHEMBL4737730

CCCCOC(=O)NCCc1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
FPR2 P25090 1/20 0.52
TRPV1 Q8NER1 1/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NAMPT P43490 2/20 0.48
FAAH O00519 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL4739556 0.81 MEN1 (0.58) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL27887140 0.80 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL1690744 0.78 FAAH (0.69) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL21382248 0.77 KMT2A (0.57) KMT2AMEN1RAB9ANPC1
SCHEMBL4769744 0.77 KMT2A (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7782533 0.76 MAPT (0.79) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL7785670 0.76 MAPT (0.79) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL8585756 0.76 KMT2A (0.56) KMT2AMEN1FPR2RAB9ANPC1
SCHEMBL7598228 0.76 MAPT (0.73) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL5110887 0.75 NPC1 (0.63) KMT2AMEN1MAPTGAARAB9A

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-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO disclosed