SCHEMBL8041746

SCHEMBL8041746

COc1cc(C(F)(F)F)c(C(=O)NC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ATM Q13315 1/20 0.55
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL8025495 0.88 KMT2A (0.48) KMT2AATMMAPTSMN1; SMN2MEN1
SCHEMBL8025559 0.79 MAPT (0.37) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8034312 0.77 TBXA2R (0.38)
SCHEMBL8038220 0.77 PPIA (0.42) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8033845 0.77 ATM (0.56) KMT2AATMMAPTMEN1POLB
SCHEMBL8036201 0.76 EPHX2 (0.39)
SCHEMBL8038463 0.76 EPHX2 (0.39)
SCHEMBL8023142 0.76 ALDH1A1 (0.39) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8035145 0.76 LRRK2 (0.35) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8037015 0.75 ALDH1A1 (0.45) KMT2AMAPTSMN1; SMN2MEN1LMNA

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
WO-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed