SCHEMBL6960874

SCHEMBL6960874

N=C(Nc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
PRMT1 Q99873 2/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SETD7 Q8WTS6 1/20 0.42
F2 P00734 1/20 0.41

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 SCHEMBL6967336 0.98 KMT2A (0.53) MEN1KMT2AMAPTRAB9APRMT1
SCHEMBL393417 0.85 ALDH1A1 (0.48) MEN1KMT2ARAB9AALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9773792 0.83 ALDH1A1 (0.46) MEN1KMT2ARAB9AALDH1A1CYP3A4
SCHEMBL457388 0.83 ALDH1A1 (0.46) MEN1KMT2ARAB9AALDH1A1CYP3A4
SCHEMBL19937963 0.82 GAA (0.53) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL28144741 0.81 RAB9A (0.50) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL4853047 0.80 NPC1 (0.61) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL14223429 0.80 PTPN1 (0.41) MEN1KMT2AMAPTRAB9APRMT1
SCHEMBL4862357 0.80 NPC1 (0.61) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL12361765 0.80 MAOA (0.55) MEN1KMT2AMAPTRAB9AALDH1A1

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 5 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
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