SCHEMBL7701320

SCHEMBL7701320

O=C(Cc1ccccc1)NN1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
NR4A1 P22736 1/20 0.55
KCNQ2 O43526 1/20 0.55
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
EPHX2 P34913 2/20 0.51
CNR2 P34972 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL27696449 0.98 HTT (0.57) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL8668943 0.85 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL6790329 0.85 SMN1; SMN2 (0.59) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL8608392 0.85 KMT2A (0.54) KMT2AMEN1L3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL5849107 0.83 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL2763578 0.83 NPC1 (0.55) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL10480817 0.83 MAPT (0.59) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL3756708 0.79 KMT2A (0.41) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL5860879 0.79 CYP2D6 (0.61) MAPTKCNQ2HTTSMN1; SMN2NPC1
SCHEMBL5918694 0.78 KMT2A (0.62) KMT2AMEN1L3MBTL1ALDH1A1GAA

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-2002076965-A1 NON PEPTIDE MIMETICS BASED ON THE ACTIVE SEQUENCE S42FLLR46 OF THE THROMBIN RECEPTOR FOR THE TREATMENT OF THROMBOSIS AND CANCER MATSOUKAS JOHN (GR) 2002-10-03 WO disclosed