SCHEMBL3972960

SCHEMBL3972960

COC(=O)c1ccc2c(c1)c(C=O)cn2-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
SCN2B O60939 1/20 0.49
SCN1A P35498 1/20 0.49
SCN1B Q07699 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
KDM4E B2RXH2 6/20 0.45
KMT2A Q03164 3/20 0.44
KCNH2 Q12809 2/20 0.44
MEN1 O00255 2/20 0.44
DGAT2 Q96PD7 1/20 0.42
ERN1 O75460 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3972983 0.88 FGFR1 (0.54) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL4388023 0.85 SCN2B (0.53) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL142321 0.78 DGAT2 (0.51) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL12700552 0.77 ALDH1A1 (0.62) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL3968490 0.76 POLB (0.53) ALDH1A1KDM4EKMT2AMEN1ERN1
SCHEMBL3971220 0.76 KCNH2 (0.47) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL8418393 0.76 ALDH1A1 (0.65) ALDH1A1KCNH2
SCHEMBL20166497 0.76 HSD17B10 (0.52) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL13883667 0.75 ALDH1A1 (0.51) ALDH1A1SCN2BSCN1ASCN1BSCN5A
SCHEMBL15970936 0.75 MEN1 (0.44) ALDH1A1KDM4EKMT2AMEN1ERN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed