SCHEMBL5202897

SCHEMBL5202897

NC(=O)Oc1ccc2cccc(N)c2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIM1 P11309 1/20 0.40
PARP1 P09874 5/20 0.39
HTR3A P46098 1/20 0.39
PLAU P00749 2/20 0.37
NCF1 P14598 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 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
SCHEMBL29112760 0.83 PIM1 (0.60) MTNR1AMTNR1BMEN1KMT2APIM1
SCHEMBL5203500 0.82 MTNR1A (0.46) MTNR1AMTNR1BPARP1HTR3AHSD17B10
SCHEMBL10768300 0.77 MEN1 (0.52) MEN1KMT2APIM1PARP1KDM4E
SCHEMBL5203518 0.77 KMT2A (0.41) MEN1KMT2AHTR3ANCF1KDM4E
SCHEMBL3577364 0.77 MCHR1 (0.49) MTNR1AMTNR1BHTR3AMCHR1
SCHEMBL2670940 0.76 PIM1 (0.47) KMT2APIM1PARP1HTR3APLAU
SCHEMBL4823327 0.75 PIM1 (0.69) KMT2APIM1PARP1HTR3APLAU
SCHEMBL2316635 0.75 MGAM (0.47) MEN1KMT2ANCF1KDM4EMAPT
SCHEMBL31140011 0.75 MGAM (0.47) MEN1KMT2ANCF1KDM4EMAPT
Hydrochloric Acid SCHEMBL3583982 0.75 MCHR1 (0.47) MTNR1AMTNR1BHTR3AMCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed