SCHEMBL3563360

SCHEMBL3563360

O=C(Nn1cnc2ccccc2c1=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.80
▸ NPC1 O15118 5/20 0.74
▸ RAB9A P51151 5/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ MEN1 O00255 1/20 0.71
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ POLB P06746 1/20 0.63
▸ CYP2D6 P10635 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ TSHR P16473 1/20 0.56

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
SCHEMBL13241783 0.81 KMT2A (0.71) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL7366160 0.80 NPC1 (0.70) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL16554573 0.75 ALOX15 (0.54) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL30553026 0.75 SMN1; SMN2 (0.53) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986853 0.74 NPC1 (0.57) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986849 0.74 SMN1; SMN2 (0.54) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986865 0.73 KMT2A (0.53) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986883 0.73 KMT2A (0.70) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986858 0.73 SMN1; SMN2 (0.53) KMT2ANPC1RAB9AL3MBTL1MEN1
SCHEMBL8986852 0.73 SMN1; SMN2 (0.58) KMT2ANPC1RAB9AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696215-B2 4-oxoquinazolin-3-yl benzamide derivatives for the treatment of cytokine diseases ASTRAZENECA AB (SE) 2010-04-13 — — US disclosed
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