SCHEMBL6957555

SCHEMBL6957555

Nc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 7/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 2/20 0.47
PRMT1 Q99873 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL1382899 0.87 MEN1 (0.67) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL9799853 0.83 MAPT (0.61) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL9871496 0.82 RAB9A (0.63) MEN1KMT2AMAPTRAB9APKM
SCHEMBL5523462 0.82 MEN1 (0.62) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL10536719 0.80 TAAR1 (0.61) MEN1KMT2ALMNAPOLBHTT
SCHEMBL5121109 0.79 ALDH1A1 (0.48) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL26358362 0.78 KMT2A (0.50) MEN1KMT2APOLBPKMHTT
SCHEMBL5121112 0.76 MLYCD (0.61) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL11726723 0.76 MEN1 (0.56) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL546369 0.75 RAB9A (0.83) MEN1KMT2AMAPTRAB9ALMNA

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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed