SCHEMBL6968097

SCHEMBL6968097

N=C(Nc1ccc(CC(=O)NCc2ccccc2)cc1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 5/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL6969347 0.88 KDM4E (0.58) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL6968442 0.88 HPGD (0.59) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL6966981 0.86 HPGD (0.57) KMT2AMEN1HPGDL3MBTL1ALDH1A1
SCHEMBL6868876 0.84 KMT2A (0.65) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL4625755 0.84 KMT2A (0.65) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL6963445 0.83 MEN1 (0.49) KDM4EKMT2AMEN1HPGDRAB9A
Hydrochloric Acid SCHEMBL5408274 0.83 KMT2A (0.64) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL9037862 0.83 NPC1 (0.51) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL8148056 0.83 POLB (0.49) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL6961294 0.82 RECQL (0.56) KDM4EKMT2AMEN1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed