SCHEMBL6957602

SCHEMBL6957602

N=C(Nc1cccc(CN2CCc3ccccc3C2)c1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOD1 Q9Y239 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42

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
Bromide SCHEMBL6968359 0.99 ACKR3 (0.48) ACKR3MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9213892 0.99 ACKR3 (0.48) ACKR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL8191919 0.88 ALDH1A1 (0.47) ACKR3MEN1KMT2AKDM4EALDH1A1
SCHEMBL7873159 0.81 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7599399 0.81 ACKR3 (0.59) ACKR3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5380801 0.81 ACKR3 (0.54) ACKR3KDM4ESMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7602388 0.80 ACKR3 (0.58) ACKR3KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15498164 0.80 ABCB1 (0.45) KDM4EALDH1A1CASP1MAPT
SCHEMBL7818530 0.78 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1CASP1
SCHEMBL7598798 0.77 ALDH1A1 (0.51) ACKR3MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
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
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN 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
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN 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