SCHEMBL3402377

SCHEMBL3402377

CCCCC(CCc1cc2cc(Cl)ccc2n1C)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.46
OXER1 Q8TDS5 5/20 0.45
RXFP1 Q9HBX9 1/20 0.40
F11 P03951 1/20 0.37
PLA2G4A P47712 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL718652 0.78 OXER1 (0.48) PHGDHOXER1RXFP1MEN1KMT2A
SCHEMBL31572043 0.76 RARB (0.46) MEN1KMT2A
SCHEMBL3403361 0.72 GCGR (0.48)
SCHEMBL20014473 0.72 OXER1 (0.47) PHGDHOXER1RXFP1MEN1KMT2A
SCHEMBL10988154 0.71 OXER1 (0.49) OXER1PLA2G4AMEN1KMT2A
SCHEMBL721063 0.70 MAPT (0.40) PHGDHOXER1RXFP1MEN1KMT2A
SCHEMBL3699735 0.70 OXER1 (0.54) OXER1
SCHEMBL287263 0.70 OXER1 (0.54) OXER1
SCHEMBL27834206 0.69 OXER1 (0.47) PHGDHOXER1MEN1KMT2A
SCHEMBL18126629 0.68 PPARG (0.57) OXER1

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-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed