SCHEMBL627264

SCHEMBL627264

CC(C)(C)OC(=O)N1CCN(c2nn3c(I)cnc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
GPR119 Q8TDV5 10/20 0.42
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAP4K4 O95819 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL628406 0.90 CYP11B2 (0.44) GPR119LMNATHRBTSHR
SCHEMBL627266 0.87 CYP11B2 (0.41) GPR119ALDH1A1
SCHEMBL627512 0.87 CKS1B (0.36) CKS1BSKP1SKP2GPR119LMNA
SCHEMBL627206 0.85 USP30 (0.42) GPR119LMNATHRB
SCHEMBL627421 0.84 RET (0.44) TSHRSMN1; SMN2ALDH1A1
SCHEMBL627225 0.79 CKS1B (0.48) CKS1BSKP1SKP2LMNATHRB
SCHEMBL627262 0.79 CCNA2 (0.48) GPR119MAPTALDH1A1
SCHEMBL625491 0.78 NAMPT (0.41) GPR119
SCHEMBL622972 0.77 GPR119 (0.45) GPR119
SCHEMBL627014 0.77 ACKR3 (0.63) GPR119LMNA

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed