SCHEMBL6964814

SCHEMBL6964814

N=C(Nc1ccc(OCCCC(=O)N2CCCC2)cc1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
HPGD P15428 5/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.48
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.45
ADRB2 P07550 1/20 0.45
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6965838 0.91 USP2 (0.55) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL9038929 0.85 POLB (0.49) RAB9AHPGDNPC1SMN1; SMN2KMT2A
Iodide SCHEMBL6961835 0.84 POLB (0.48) RAB9AHPGDNPC1SMN1; SMN2KMT2A
SCHEMBL9040990 0.81 L3MBTL1 (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Iodide SCHEMBL6962501 0.80 L3MBTL1 (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6964818 0.77 HPGD (0.54) RAB9AHPGDNPC1SMN1; SMN2KMT2A
Iodide SCHEMBL6961661 0.76 NPC1 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL8180586 0.72 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
Bromide SCHEMBL6961358 0.71 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL9048452 0.71 NPC1 (0.60) RAB9AHPGDNPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed