SCHEMBL14345713

SCHEMBL14345713

O=C(O)c1sc(Nc2ccccc2F)nc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 4/20 0.65
PPARG P37231 3/20 0.65
NCOA2 Q15596 3/20 0.65
NCOA1 Q15788 3/20 0.65
NCOA3 Q9Y6Q9 2/20 0.65
KMT2A Q03164 8/20 0.58
MEN1 O00255 6/20 0.58
NPC1 O15118 5/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.56
ADORA2B P29275 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MAPT P10636 2/20 0.51
CLK1 P49759 1/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
DHODH Q02127 2/20 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
SCHEMBL31423857 0.90 RAB9A (0.63) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL31423859 0.90 RAB9A (0.63) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL14345627 0.83 RAB9A (0.57) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL5360478 0.81 GAA (0.69) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL14345712 0.78 CCNA2 (0.61) ALDH1A1PPARGNCOA2NCOA1NCOA3
SCHEMBL5356543 0.77 ADORA2B (0.65) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL15064944 0.74 KMT2A (0.70) RAB9AALDH1A1KMT2AMEN1NPC1
SCHEMBL31423860 0.74 ADORA2B (0.54) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL31423858 0.74 TP53 (0.65) RAB9AALDH1A1PPARGNCOA2NCOA1
SCHEMBL31415156 0.74 CDK5 (1.00) RAB9AKMT2AMEN1NPC1CDK5

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-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO disclosed