SCHEMBL4074699

SCHEMBL4074699

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
EGLN1 Q9GZT9 3/20 0.41
KCNA5 P22460 1/20 0.41
MTNR1A P48039 7/20 0.41
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

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
SCHEMBL4070933 0.96 SMN1; SMN2 (0.43) SMN1; SMN2THRATHRBEGLN1KCNA5
SCHEMBL1030683 0.89 SMN1; SMN2 (0.47) SMN1; SMN2THRATHRBEGLN1MTNR1A
SCHEMBL4080190 0.87 BCHE (0.43) SMN1; SMN2THRATHRBEGLN1MTNR1A
SCHEMBL1033120 0.85 SMN1; SMN2 (0.47) SMN1; SMN2THRATHRBEGLN1KCNA5
SCHEMBL1033035 0.82 EGLN1 (0.47) SMN1; SMN2THRATHRBEGLN1
SCHEMBL8134048 0.82 THRA (0.58) THRATHRBEGLN1KCNA5ACR
SCHEMBL1033585 0.81 THRA (0.41) SMN1; SMN2THRATHRBEGLN1MTNR1A
SCHEMBL4069669 0.81 DHODH (0.44) THRATHRBEGLN1
SCHEMBL1032619 0.80 THRA (0.39) SMN1; SMN2THRATHRBEGLN1MTNR1A
SCHEMBL1032319 0.78 THRA (0.38) SMN1; SMN2THRATHRBEGLN1MTNR1A

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