SCHEMBL15501010

SCHEMBL15501010

O=C(O)Cn1ccnc1I

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
FPR2 P25090 6/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
TBXAS1 P24557 1/20 0.35

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
SCHEMBL24201119 0.77 FPR2 (0.48) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
SCHEMBL27505442 0.76 FPR2 (0.40) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
SCHEMBL4288735 0.76 FPR2 (0.40) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
SCHEMBL369240 0.76 ALPL (0.54) ESR1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL938206 0.76 ARG1 (0.53) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
SCHEMBL3587986 0.74 FPR2 (0.49) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
SCHEMBL28938190 0.74 ALPL (0.53) ESR1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL17669581 0.74 FPR2 (0.52) CSNK2A2CSNK2A1FPR2ESR1SMN1; SMN2
Hydrochloric Acid SCHEMBL28835895 0.74 ALPL (0.55) ESR1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL371254 0.73 ALPG (0.56) FPR2ESR1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706057-B1 Bis(imidazolyl)compounds and radionuclide complexes MOLECULAR INSIGHT PHARM INC (US) 2016-04-20 EP disclosed
EP-2706057-A1 Bis(imidazolyl)compounds and radionuclide complexes Molecular Insight Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed