SCHEMBL7018569

SCHEMBL7018569

Cn1c(CC(=O)Nc2ccc(CC#N)cc2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.52
▸ NTRK2 Q16620 12/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HIF1A Q16665 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL7018167 0.83 NTRK1 (0.59) NTRK1NTRK2KMT2AMEN1NPC1
SCHEMBL3874703 0.76 RAB9A (0.57) LMNAPOLBMAPTNPC1RAB9A
SCHEMBL10035832 0.75 HDAC6 (0.58) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL6622046 0.73 KMT2A (0.55) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL12880099 0.72 MAPT (0.60) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL17933571 0.71 HDAC6 (0.72) KMT2ALMNAPOLBMAPTNPC1
SCHEMBL15685951 0.71 PIN1 (0.65) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL6622747 0.70 CA1 (0.60) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL13649430 0.70 HDAC6 (0.61) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL15685964 0.69 ADRB1 (0.61) KMT2AMEN1NPSR1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972769-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-04-16 — — EP disclosed
US-6177454-B1 ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 — — US disclosed
US-6048884-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-11 — — US disclosed
EP-0972769-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-01-19 — — EP disclosed
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