SCHEMBL2127333

SCHEMBL2127333

COC(=O)Oc1ccc2nc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
NPC1 O15118 10/20 0.47
ALDH1A1 P00352 10/20 0.47
SMN1; SMN2 Q16637 9/20 0.47
HPGD P15428 6/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 9/20 0.43
THRB P10828 1/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 2/20 0.40
LMNA P02545 3/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
MAPK1 P28482 1/20 0.39
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
POLB P06746 2/20 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
SCHEMBL2128329 0.83 NPC1 (0.53) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2128311 0.82 ALDH1A1 (0.64) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2128467 0.81 ALDH1A1 (0.59) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2127898 0.79 NPC1 (0.47) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2127619 0.78 RAB9A (0.55) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2129201 0.77 KDM4E (0.49) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2127186 0.77 KDM4E (0.47) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2130191 0.76 ALDH1A1 (0.45) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2127407 0.76 RAB9A (0.53) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2127135 0.76 ALDH1A1 (0.53) KDM4ENPC1ALDH1A1SMN1; SMN2HPGD

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