SCHEMBL6964158

SCHEMBL6964158

N=C(Nc1ccc(NC(=N)c2sccc2Cl)cc1)c1sccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 2/20 0.46
AGTR1 P30556 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F10 P00742 2/20 0.41
TLR8 Q9NR97 1/20 0.41
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
PKM P14618 2/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
CASP3 P42574 3/20 0.36
SENP8 Q96LD8 3/20 0.36
SENP7 Q9BQF6 3/20 0.36
SENP6 Q9GZR1 3/20 0.36
PRSS12 P56730 2/20 0.36
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL7136565 0.86 SMN1; SMN2 (0.49) MAPTGAAALDH1A1AGTR1TDP1
SCHEMBL6970011 0.76 TRPV1 (0.52) MAPTALDH1A1MAPK1RAB9AKMT2A
SCHEMBL7219923 0.73
SCHEMBL9037717 0.71
Hydrochloric Acid SCHEMBL9047334 0.69 MAPT (0.41) MAPTGAAALDH1A1AGTR1TDP1
SCHEMBL7075660 0.66 ALDH1A1 (0.47) MAPTGAAALDH1A1AGTR1TDP1
SCHEMBL1859781 0.65 GAA (0.69) MAPTGAAALDH1A1AGTR1TDP1
SCHEMBL5868892 0.65 GAA (0.46) MAPTGAAALDH1A1AGTR1TDP1
SCHEMBL13982845 0.64
SCHEMBL4337185 0.64

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