SCHEMBL14899736

SCHEMBL14899736

CN1CCN(c2cnn(-c3ccccc3CN)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.50
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BRD9 Q9H8M2 12/20 0.40
▸ BRD4 O60885 4/20 0.40
▸ BRPF1 P55201 3/20 0.40
▸ BRD7 Q9NPI1 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ TRPC5 Q9UL62 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
SCHEMBL14899776 0.87 ADRA2C (0.48) LMNAPOLBKMT2ASMN1; SMN2BRD9
SCHEMBL11944591 0.86 MAPT (0.38) NCF1LMNABRD9BRD4BRPF1
SCHEMBL11944571 0.77 MAPT (0.39) SMN1; SMN2
SCHEMBL14899753 0.77 SMN1; SMN2 (0.48) LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL14899749 0.76 SMN1; SMN2 (0.45) LMNAPOLBKMT2ASMN1; SMN2HRH4
SCHEMBL17057799 0.76 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2HTR1A
SCHEMBL17058354 0.74 MCHR1 (0.38) LMNAPOLBKMT2ASMN1; SMN2HRH4
SCHEMBL14899737 0.74 SMN1; SMN2 (0.46) LMNAPOLBKMT2ASMN1; SMN2HRH4
SCHEMBL11944442 0.73 CACNB4 (0.38) LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL17057760 0.73 ATR (0.41) LMNAPOLBKMT2ASMN1; SMN2BRD9

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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