SCHEMBL8288685

SCHEMBL8288685

NC(=O)c1c(NC(=O)c2ccc(C(F)(F)F)cc2)sc2c1CCCCC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.77
POLB P06746 2/20 0.75
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
ALDH1A1 P00352 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MAPT P10636 1/20 0.73
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CASP3 P42574 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
CLK1 P49759 1/20 0.66
GFER P55789 1/20 0.66
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
ESR1 P03372 1/20 0.64
TP53 P04637 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL8289498 0.99 FLT3 (0.79) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL7902040 0.88 GRIN2C (0.78) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL14366842 0.87 FLT3 (1.00) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8289526 0.87 RAB9A (0.95) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8289853 0.87 FLT3 (0.97) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8288696 0.87 FLT3 (0.73) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8289672 0.85 FLT3 (0.97) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8290663 0.85 FLT3 (1.00) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL8289442 0.85 FLT3 (0.74) FLT3POLBNPC1RAB9AALDH1A1
SCHEMBL5453475 0.85 ANO1 (0.65) FLT3POLBNPC1RAB9AALDH1A1

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed