SCHEMBL8524626

SCHEMBL8524626

CNC(=O)c1cccc(NC(=N)N2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.47
DGAT1 O75907 1/20 0.47
PARP1 P09874 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL8525129 0.99 ATM (0.53) ATMKMT2AALDH1A1TP53HPGD
SCHEMBL15130041 0.85 RAB9A (0.66) KMT2AALDH1A1HTTTSHRRAB9A
SCHEMBL8524702 0.85 KMT2A (0.64) ATMKMT2AALDH1A1TP53HPGD
SCHEMBL8524617 0.83 ATM (0.53) ATMKMT2AALDH1A1TP53HPGD
SCHEMBL8395852 0.80 MAPK1 (0.55) KMT2AALDH1A1TP53HPGDHTT
SCHEMBL8392821 0.80 GAA (0.59) ATMKMT2AALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL8396116 0.79 GAA (0.58) ATMKMT2AALDH1A1TP53HPGD
SCHEMBL8394017 0.78 LMNA (0.58) KMT2AALDH1A1HPGDRAB9AMEN1
SCHEMBL8392950 0.78 KDM1A (0.53) ATMALDH1A1TP53RAB9APARP1
Hydrochloric Acid SCHEMBL8397090 0.78 LMNA (0.57) KMT2AALDH1A1HPGDRAB9AMEN1

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 3 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
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP disclosed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO disclosed