SCHEMBL4070933

SCHEMBL4070933

COc1ccc2c(Cl)nc(OC(=O)NCCO)c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 1/20 0.41
MTNR1A P48039 7/20 0.41
EGLN1 Q9GZT9 2/20 0.40
ACR P10323 1/20 0.40
ADORA2A P29274 1/20 0.40
MTNR1B P49286 6/20 0.39
NQO2 P16083 1/20 0.39
PTGS2 P35354 1/20 0.39
FAAH O00519 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37

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
SCHEMBL4074699 0.96 SMN1; SMN2 (0.43) SMN1; SMN2KCNA5MTNR1AEGLN1ACR
SCHEMBL1033120 0.89 SMN1; SMN2 (0.47) SMN1; SMN2KCNA5MTNR1AEGLN1THRA
SCHEMBL1030683 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MTNR1AEGLN1THRATHRB
SCHEMBL4080190 0.83 BCHE (0.43) SMN1; SMN2MTNR1AEGLN1FAAHTHRA
SCHEMBL1033035 0.82 EGLN1 (0.47) SMN1; SMN2EGLN1THRATHRB
SCHEMBL8148476 0.82 EGLN1 (0.53) KCNA5EGLN1ACRHPGDHSD17B10
SCHEMBL1031021 0.81 NPC1 (0.38) SMN1; SMN2MTNR1AEGLN1HPGDHSD17B10
SCHEMBL4075081 0.81 DHODH (0.44) EGLN1HPGDHSD17B10THRATHRB
SCHEMBL1034732 0.80 NPC1 (0.38) SMN1; SMN2MTNR1AEGLN1THRATHRB
SCHEMBL1033428 0.78 NPC1 (0.37) SMN1; SMN2MTNR1AEGLN1THRATHRB

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