SCHEMBL6967030

SCHEMBL6967030

N=C(Nc1cccc(NC(=N)c2ccccc2Cl)c1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 2/20 0.49
F2R P25116 1/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HTT P42858 2/20 0.45
PTGES O14684 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.43
SMO Q99835 1/20 0.43
PAX8 Q06710 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
SCHEMBL1437533 0.91 FADS1 (0.53) KCNK3KCNK9KMT2AMEN1MAPT
SCHEMBL7829720 0.89 SMO (0.50) KCNK3KCNK9KMT2AMEN1MAPT
SCHEMBL28914211 0.89 KCNK3 (0.57) KCNK3KCNK9KMT2AMEN1MAPT
SCHEMBL28562749 0.85 SIGMAR1 (0.54) MAPTF2RSMN1; SMN2LMNA
SCHEMBL28572766 0.83 NPC1 (0.51) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL5336139 0.81 SMO (0.47) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL6344638 0.79 MAPK1 (0.51) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL28579522 0.79 SMO (0.59) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL28574727 0.79 NPC1 (0.51) KMT2AMEN1MAPTPOLBALDH1A1
SCHEMBL28216083 0.79 RAB9A (0.46) KMT2AMEN1MAPTPOLBALDH1A1

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