SCHEMBL10378109

SCHEMBL10378109

CCOC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
DHODH Q02127 3/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KDR P35968 1/20 0.47
AHR P35869 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
PKM P14618 1/20 0.46
CLCN2 P51788 1/20 0.46

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
SCHEMBL11830768 0.92 DHODH (0.56) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL26631994 0.88 HTT (0.54) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL12478838 0.86 RAB9A (0.65) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL26742261 0.83 HTT (0.56) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL12478383 0.82 SMN1; SMN2 (0.58) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL16616153 0.82 MEN1 (0.62) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL11833609 0.82 HTT (0.68) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL12478898 0.81 DHODH (0.65) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL10377167 0.81 RAB9A (0.70) HTTMEN1KMT2ADHODHRAB9A
SCHEMBL9494044 0.80 RAB9A (0.64) HTTMEN1KMT2ADHODHRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed