SCHEMBL13699120

SCHEMBL13699120

NCCCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 4/20 0.58
RHOA P61586 4/20 0.58
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
TACR1 P25103 1/20 0.49
NAMPT P43490 2/20 0.48
TP53BP1 Q12888 1/20 0.48
GAA P10253 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL20892692 0.81 RHOC (0.60) RHOCRHOAHDAC3HDAC1TACR1
SCHEMBL13699130 0.81 CA2 (0.66) RHOCRHOAHDAC3HDAC1
SCHEMBL1534263 0.80 EPHX2 (0.63) RHOCRHOATACR1TP53BP1ALDH1A1
SCHEMBL17623628 0.80 EPHX2 (0.58) HDAC3HDAC1NAMPT
SCHEMBL19133527 0.79 POLB (0.70) HDAC3HDAC1NAMPTTP53BP1HDAC2
SCHEMBL20685631 0.79 TACR1 (0.53) RHOCRHOAHDAC3HDAC1TACR1
SCHEMBL13699136 0.79 RHOC (0.53) RHOCRHOATACR1NAMPTTP53BP1
SCHEMBL13753102 0.78 ALDH1A1 (0.72) RHOCRHOATACR1TP53BP1GAA
SCHEMBL9321318 0.78 KDM4E (0.54) HDAC3HDAC1GAAHDAC4HDAC7
SCHEMBL13064974 0.78 KDM4E (0.56) GAAALDH1A1POLB

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-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed