Aminomethylamide

Aminomethylamide

SCHEMBL4073683

NCC(N)=O.O=C(O)Oc1cc2ccccc2cn1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
PDPK1 O15530 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
PTPN7 P35236 1/20 0.36
LTB4R Q15722 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ACACA Q13085 1/20 0.34
PLA2G10 O15496 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL7175076 0.89 CYP1A2 (0.42) PLAUPDPK1EGLN1PTPN7NOTUM
Water SCHEMBL6036774 0.88 CYP1A2 (0.41) PLAUPDPK1EGLN1PTPN7NOTUM
SCHEMBL30636265 0.81 PLAU (0.46) PLAUPDPK1EGLN1PTPN7NOTUM
SCHEMBL4073461 0.81 PLAU (0.46) PLAUPDPK1EGLN1PTPN7NOTUM
Aminomethylamide SCHEMBL8156681 0.77 EGLN1 (0.49) PLAUPDPK1EGLN1MEN1KMT2A
Aminomethylamide SCHEMBL6564121 0.75 MGAM (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4076740 0.72 EGLN1 (0.44) EGLN1PTPN7MEN1KMT2AKDM4E
SCHEMBL28189777 0.70 ELANE (0.45) PLAUPDPK1EGLN1NOTUMCYP1A2
SCHEMBL5651342 0.70 LIPE (0.55) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4078393 0.70 ALDH1A1 (0.44) NOTUMMEN1KMT2AKDM4EALDH1A1

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-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed
EP-0911340-B1 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use FIBROGEN INC (US) 2005-07-06 EP disclosed
EP-1538160-A1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN, INC. (US) 2005-06-08 EP disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed