SCHEMBL3475609

SCHEMBL3475609

O=C(O)N1CCN(c2nn3c(I)c(-c4ccc(F)cc4)nc3s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMO Q99835 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TP53 P04637 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3475610 0.85 FAAH (0.40) FAAHLMNAHTTMAPTSMN1; SMN2
SCHEMBL3476467 0.84 PRKD3 (0.44) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL3476466 0.84 PRKD3 (0.44) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL3478580 0.83 HRH4 (0.39) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL3476097 0.78 MAPT (0.55) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3124224 0.77 MAPT (0.50) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL13072518 0.75 MAP4K4 (0.42) FAAHMAPTSMO
SCHEMBL3118831 0.75 GRIA1 (0.42) LMNAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL3765693 0.71 LMNA (0.72) FAAHLMNAHTTMAPTSMN1; SMN2
SCHEMBL15825263 0.70 KCNH2 (0.49)

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-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed