SCHEMBL14899776

SCHEMBL14899776

CN1CCN(c2cnn(-c3ccccc3N)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.42
▸ BRD9 Q9H8M2 9/20 0.40
▸ BRD4 O60885 4/20 0.39
▸ BRPF1 P55201 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ BRD7 Q9NPI1 2/20 0.37
▸ KEAP1 Q14145 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL17058354 0.87 MCHR1 (0.38) ADRA2CKMT2ASMN1; SMN2POLBLMNA
SCHEMBL14899736 0.87 NCF1 (0.50) KMT2ASMN1; SMN2POLBLMNAHRH4
SCHEMBL17057799 0.86 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2MEN1GAAUSP2
SCHEMBL11944442 0.85 CACNB4 (0.38) ADRA2CKMT2ASMN1; SMN2POLBLMNA
SCHEMBL17058087 0.85 MCHR1 (0.34) ADRA2CKMT2ASMN1; SMN2POLBLMNA
SCHEMBL14081346 0.82 NPC1 (0.32) KMT2ASMN1; SMN2POLBLMNAMEN1
SCHEMBL11944450 0.82 MAPT (0.42) SMN1; SMN2POLBLMNAMAPTMAPK1
SCHEMBL14899753 0.79 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2POLBLMNAMEN1
SCHEMBL14899749 0.79 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2POLBLMNAHRH4
SCHEMBL14899737 0.77 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2POLBLMNAHRH4

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
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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