SCHEMBL6646512

SCHEMBL6646512

O=[N+]([O-])c1ccc(-c2csc(-c3cnccc3-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 5/20 0.51
CYP19A1 P11511 3/20 0.51
KDM4E B2RXH2 2/20 0.51
AR P10275 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL6648655 0.85 KDM4E (0.71) KMT2ALMNASMN1; SMN2TDP1RAB9A
SCHEMBL14551142 0.83 MAPT (0.73) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL10273182 0.83 KMT2A (0.51) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL7083568 0.81 RAB9A (0.63) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL6629035 0.78 CYP19A1 (0.65) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL6649613 0.75 CYP19A1 (0.59) MAPTKMT2ACYP1A2SMN1; SMN2TDP1
SCHEMBL4732492 0.74 MAPT (0.52) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL6650456 0.74 RAB9A (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6646978 0.74 CYP19A1 (0.58) MAPTKMT2ALMNACYP1A2SMN1; SMN2
SCHEMBL6648628 0.73 CYP19A1 (0.60) MAPTKMT2ALMNACYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed