SCHEMBL8524617

SCHEMBL8524617

CN(C)C(=O)c1cccc(NC(=N)N2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 3/20 0.46
PARP1 P09874 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
NOD2 Q9HC29 1/20 0.43
FKBP1A P62942 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8524702 0.83 KMT2A (0.64) ATMKMT2ATSHRALDH1A1HTT
SCHEMBL8524626 0.83 ATM (0.54) ATMKMT2ATSHRALDH1A1HTT
Hydrochloric Acid SCHEMBL8525129 0.82 ATM (0.53) ATMKMT2ATSHRALDH1A1HTT
SCHEMBL8392821 0.79 GAA (0.59) ATMKMT2AALDH1A1HTTTP53
Hydrochloric Acid SCHEMBL8396116 0.78 GAA (0.58) ATMKMT2AALDH1A1HTTTP53
SCHEMBL8392094 0.76 ALDH1A1 (0.68) KMT2AALDH1A1HPGDRAB9AMEN1
SCHEMBL8392632 0.76 POLB (0.57) KMT2AALDH1A1HTTRAB9ALMNA
SCHEMBL4930738 0.75 EPHX2 (0.47) KMT2ATSHRALDH1A1MEN1NPSR1
SCHEMBL28284716 0.75 MEN1 (0.51) KMT2AALDH1A1HTTRAB9AMEN1
Hydrochloric Acid SCHEMBL8397107 0.75 POLB (0.56) KMT2AALDH1A1HTTRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US disclosed