SCHEMBL6967013

SCHEMBL6967013

NC(=Nc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
CYP2D6 P10635 1/20 0.58
HIF1A Q16665 1/20 0.58
MAPT P10636 3/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
NOS1 P29475 5/20 0.52
NOS3 P29474 3/20 0.52
NOS2 P35228 1/20 0.52
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
SLC22A2 O15244 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
SLC22A1 O15245 1/20 0.46
SLC22A3 O75751 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 SCHEMBL6967345 0.98 MEN1 (0.73) MEN1KMT2ACYP2D6HIF1AMAPT
SCHEMBL139363 0.87 KMT2A (1.00) MEN1KMT2ACYP2D6HIF1AMAPT
SCHEMBL24662980 0.87 KMT2A (1.00) MEN1KMT2ACYP2D6HIF1AMAPT
SCHEMBL24136574 0.87 KMT2A (1.00) MEN1KMT2ACYP2D6HIF1AMAPT
Hydrochloric Acid SCHEMBL28549744 0.85 KMT2A (0.95) MEN1KMT2ACYP2D6HIF1AMAPT
Hydrochloric Acid SCHEMBL9773794 0.85 KMT2A (0.95) MEN1KMT2ACYP2D6HIF1AMAPT
SCHEMBL8328537 0.82 MEN1 (0.73) MEN1KMT2ACYP2D6HIF1AMAPT
Hydrochloric Acid SCHEMBL7560014 0.82 MEN1 (0.73) MEN1KMT2ACYP2D6HIF1APOLB
SCHEMBL11789365 0.82 CYP2D6 (0.85) MEN1KMT2ACYP2D6HIF1AMAPT
SCHEMBL28859630 0.82 MEN1 (0.73) MEN1KMT2ACYP2D6HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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