SCHEMBL7140965

SCHEMBL7140965

CN(C)S(=O)(=O)c1ccc(C2NN=Cc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
C5AR1 P21730 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
STING1 Q86WV6 1/20 0.33
C1R P00736 1/20 0.33

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
SCHEMBL7144250 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTT
SCHEMBL7140463 0.79 PDGFRB (0.37) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4273307 0.78 PRCP (0.45) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL7138440 0.76 PRCP (0.38) LMNAALDH1A1MAPTKDM4EHPGD
SCHEMBL7143820 0.74 KDM1A (0.37) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL7145697 0.74 PRCP (0.44) HTR2CHTR2B
SCHEMBL7145701 0.74 PRCP (0.44) HTR2CHTR2B
SCHEMBL7142187 0.74 PRCP (0.44) MAPTHTR2CHTR2B
SCHEMBL7143821 0.74 KDM1A (0.37) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL7142182 0.74 PRCP (0.44) MAPTHTR2CHTR2B

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-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed