SCHEMBL2130191

SCHEMBL2130191

COC(=O)Oc1ccc2nc(-c3ccccc3C(F)(F)F)cn2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 6/20 0.45
HPGD P15428 4/20 0.45
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
F2RL3 Q96RI0 1/20 0.44
ABL1 P00519 1/20 0.42
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A3 P47895 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.39
KMO O15229 1/20 0.39
FFAR1 O14842 2/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL2129364 0.85 FFAR1 (0.50) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2127186 0.83 KDM4E (0.47) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2127588 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2127666 0.80 NPC1 (0.62) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2128311 0.80 ALDH1A1 (0.64) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2130765 0.79 RAB9A (0.49) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2128467 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2126827 0.78 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2127135 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A
SCHEMBL2127898 0.76 NPC1 (0.47) ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A

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
EP-2129375-B1 IMIDAZO[1,2-A]PYRIDINES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2012-04-25 EP claimed