SCHEMBL17472467

SCHEMBL17472467

CC(C)(C)c1cccc(Oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTPRC P08575 1/20 0.40
ENPP2 Q13822 2/20 0.40
GPR17 Q13304 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX1 P51575 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
SCHEMBL8144288 0.90 MAPT (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL8152290 0.85 MAPT (0.48) MAPTMEN1KMT2AHTTLMNA
SCHEMBL3543571 0.84 ALDH1A1 (0.46) MAPTMEN1KMT2AHTTLMNA
SCHEMBL31009356 0.84 MAPT (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL15794676 0.84 ALDH1A1 (0.62) MAPTMEN1KMT2AHTTLMNA
SCHEMBL24168437 0.83 MAPT (0.54) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL8143585 0.83 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL30539127 0.83 MAPT (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL5224826 0.83 MAPT (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL14678190 0.80 MAPT (0.51) MAPTMEN1KMT2AHTTLMNA

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-2980072-A1 PHENYL DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-02-03 EP disclosed