SCHEMBL9607741

SCHEMBL9607741

Oc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
KMT2A Q03164 7/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 2/20 0.39
PDE5A O76074 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
METAP1 P53582 2/20 0.38
JAK2 O60674 1/20 0.38
PPP1CA P62136 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8779470 0.83 BRD4 (0.39) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779392 0.83 PDE10A (0.46) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779457 0.81 SMN1; SMN2 (0.41) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL3787489 0.80 MAPT (0.50) KMT2AMEN1PDE5AL3MBTL1ALDH1A1
SCHEMBL8779492 0.79 KDM4E (0.41) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779414 0.78 MEN1 (0.54) BRD4KMT2AMEN1PDE5AL3MBTL1
SCHEMBL8779486 0.78 PDE5A (0.36) BRD4KMT2AMEN1NPC1PDE5A
SCHEMBL8779415 0.78 MAPT (0.53) BRD4KMT2AMEN1PDE5AL3MBTL1
SCHEMBL8779388 0.77 PDE5A (0.45) KMT2AMEN1NPC1PDE5AL3MBTL1
SCHEMBL8779369 0.77 MEN1 (0.53) KMT2AMEN1METAP1ALDH1A1SMN1; 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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed