SCHEMBL17049508

SCHEMBL17049508

Cc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1OCCCCc1cnnn1CCOCCOCCOCCNS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 6/20 0.45
▸ SETD7 Q8WTS6 3/20 0.45
▸ DOT1L Q8TEK3 3/20 0.45
▸ CARM1 Q86X55 3/20 0.45
▸ NNMT P40261 3/20 0.45
▸ PCMT1 P22061 2/20 0.45
▸ RNMT O43148 2/20 0.45
▸ PRMT1 Q99873 2/20 0.45
▸ SETD2 Q9BYW2 2/20 0.45
▸ EHMT2 Q96KQ7 2/20 0.45
▸ TRDMT1 O14717 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ INMT O95050 1/20 0.45
▸ TPMT P51580 1/20 0.45
▸ METTL3 Q86U44 1/20 0.45
▸ NSD1 Q96L73 1/20 0.45
▸ NSD3 Q9BZ95 1/20 0.45
▸ EHMT1 Q9H9B1 1/20 0.45
▸ METTL14 Q9HCE5 1/20 0.45
▸ EZH2 Q15910 1/20 0.38

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
SCHEMBL13966930 0.94 NSD2 (0.53) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13966928 0.93 NSD2 (0.54) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13966923 0.90 NSD2 (0.55) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13966933 0.90 NSD2 (0.53) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL17049404 0.88 NSD2 (0.54) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13976309 0.88 NSD2 (0.55) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL17250752 0.86 NSD2 (0.56) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13966927 0.86 NSD2 (0.55) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL17250753 0.82 NSD2 (0.56) NSD2SETD7DOT1LCARM1NNMT
SCHEMBL13976429 0.81 NSD2 (0.56) NSD2SETD7DOT1LCARM1NNMT

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
US-9120820-B2 Fluorescent molecular probes for use in assays that measure test compound competitive binding with SAM-utilizing proteins CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2015-09-01 — — US disclosed
Send feedback