SCHEMBL14345712

SCHEMBL14345712

O=C(O)c1sc(Nc2cccc(F)c2)nc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.61
CDK2 P24941 2/20 0.61
ADORA2B P29275 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
ALOX5 P09917 1/20 0.55
PTGS2 P35354 1/20 0.55
DHODH Q02127 6/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
PPARG P37231 2/20 0.53
NCOA2 Q15596 2/20 0.53
NCOA1 Q15788 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5402536 0.84 LMNA (0.55) CCNA2CDK2ADORA2BSMN1; SMN2LMNA
SCHEMBL14345621 0.84 DHODH (0.57) CCNA2CDK2ADORA2BSMN1; SMN2LMNA
SCHEMBL5330484 0.80 LMNA (0.56) CCNA2CDK2ADORA2BSMN1; SMN2LMNA
SCHEMBL5356543 0.79 ADORA2B (0.65) CDK2ADORA2BSMN1; SMN2LMNAALOX5
SCHEMBL4402464 0.78 ADORA2B (0.86) CCNA2CDK2ADORA2BSMN1; SMN2LMNA
SCHEMBL14345713 0.78 RAB9A (0.65) ADORA2BSMN1; SMN2LMNAALOX5PTGS2
SCHEMBL5418954 0.78 LMNA (0.48) CCNA2CDK2ADORA2BSMN1; SMN2LMNA
SCHEMBL1883114 0.77 MAPT (0.66) ADORA2BSMN1; SMN2LMNADHODHALDH1A1
SCHEMBL5355961 0.77 DHODH (0.53) ADORA2BSMN1; SMN2LMNADHODHALDH1A1
SCHEMBL31423856 0.77 ADORA2B (0.74) CCNA2CDK2ADORA2BSMN1; SMN2LMNA

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