SCHEMBL3829376

SCHEMBL3829376

O=C(O)c1ccc(N(c2ccc(C=Cc3ccncc3)cc2)c2ccc(C=Cc3ccncc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NAPRT Q6XQN6 1/20 0.52
KMT2A Q03164 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
HBB P68871 1/20 0.51
GAA P10253 1/20 0.48
SNCA P37840 1/20 0.47
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
TBXAS1 P24557 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FBP1 P09467 1/20 0.44

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
SCHEMBL2399859 0.89 KDM1A (0.67) KDM1AHDAC1HDAC6NAPRTKMT2A
SCHEMBL2399857 0.89 KDM1A (0.67) KDM1AHDAC1HDAC6NAPRTKMT2A
Hydrochloric Acid SCHEMBL6706505 0.88 KDM1A (0.65) KDM1AHDAC1HDAC6NAPRTKMT2A
Hydrochloric Acid SCHEMBL6706503 0.88 KDM1A (0.65) KDM1AHDAC1HDAC6NAPRTKMT2A
SCHEMBL14856712 0.84 HDAC1 (0.50) HDAC1NAPRTKMT2ANPC1RAB9A
SCHEMBL3810923 0.84 MAPT (0.69) KDM1AHDAC1HDAC6KMT2ANPC1
SCHEMBL4410983 0.84 MAPT (0.69) KDM1AHDAC1HDAC6KMT2ANPC1
SCHEMBL4411642 0.81 KDM1A (0.54) KDM1AHDAC1HDAC6KMT2ANPC1
SCHEMBL28452789 0.81 NAPRT (0.57) HDAC1HDAC6NAPRTMAPTSMN1; SMN2
SCHEMBL22170316 0.80 MAPT (0.60) KDM1AHDAC1HDAC6KMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086937-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY Commissariat à l'Energie Atomique (FR) 2009-08-12 EP claimed
WO-2008055969-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-05-15 WO claimed
EP-2086937-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY Commissariat à l'Energie Atomique (FR) 2009-08-12 EP disclosed
WO-2008055969-A1 NOVEL TRIPHENYLAMINE DERIVATIVES FOR USE AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-05-15 WO disclosed