SCHEMBL13715830

SCHEMBL13715830

O=C(Nc1ccncn1)Nc1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ FAAH O00519 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ MDM2 Q00987 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL13715632 0.81 NPC1 (0.58) CDK5CDK5R1LMNANPC1ADORA3
SCHEMBL31186325 0.79 P2RX7 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ADORA3
SCHEMBL13715687 0.79 P2RX7 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ADORA3
SCHEMBL12057465 0.79 MDM2 (0.33) MDM2
SCHEMBL13715636 0.78 MDM2 (0.63) LMNAMDM2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13715831 0.78 KDM4E (0.51) CDK5NPC1PIM1RAB9ASMN1; SMN2
SCHEMBL13715842 0.75 NPC1 (0.30) NPC1ADORA3PIM1ADORA2AADORA2B
SCHEMBL13715594 0.75 GOT1 (0.40) LMNAFAAHNPC1ADORA3PIM1
SCHEMBL1148266 0.74 NPC1 (0.32) LMNANPC1ADORA3PIM1ADORA2A
SCHEMBL28755924 0.73 EPHX2 (0.54) EPHX2CHRNB2CHRNB4CHRNA3CHRNA4

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
US-20090203215-A1 METAL POLISHING SLURRY AND CHEMICAL MECHANICAL POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
US-20090203215-A1 METAL POLISHING SLURRY AND CHEMICAL MECHANICAL POLISHING METHOD FUJIFILM CORPORATION (JP) 2009-08-13 — — US disclosed
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