SCHEMBL4081448

SCHEMBL4081448

NC(=O)Oc1ncccc1S

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 2/20 0.38
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NAPRT Q6XQN6 1/20 0.35
KIF11 P52732 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
AHR P35869 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3785068 0.83 TDP1 (0.38) RAB9APSMD14COPS5ALDH1A1NAPRT
SCHEMBL5206688 0.79 RAB9A (0.41) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL1767096 0.79 RAB9A (0.41) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL7605126 0.79 KDM4E (0.41) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL15880497 0.78 HTT (0.42) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL28793465 0.78 RAB9A (0.46) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL5200812 0.78 PDE10A (0.40) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL28683997 0.78 PLAU (0.44) RAB9AMEN1KMT2APARP1TDP1
SCHEMBL29230750 0.78 RAB9A (0.40) RAB9AMEN1KMT2APARP1ALDH1A1
SCHEMBL2635568 0.77 KIF11 (0.42) ALDH1A1KIF11MAPT

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