SCHEMBL734847

SCHEMBL734847

CONc1ncnc2c1ncn2[C@H]1C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(OC(=O)C(=O)OC2CCCCC2)C(c2ccccc2)(c2ccccc2)c2ccccc2)O1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.31
PRMT5 O14744 3/20 0.31
WDR77 Q9BQA1 3/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GALR3 O60755 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL733412 0.85 RNMT (0.30)
SCHEMBL733396 0.82 ADORA3 (0.41) PRMT5WDR77
SCHEMBL753549 0.81 PRKAG1 (0.31) P2RY12
SCHEMBL441412 0.78 ADORA2A (0.35) P2RY12
SCHEMBL2028468 0.77 ADORA2B (0.38)
SCHEMBL9539565 0.77 TYMP (0.38) PRMT5WDR77
SCHEMBL21620263 0.74 PRMT6 (0.36) P2RY12
SCHEMBL25505318 0.74 PRMT6 (0.39) P2RY12
SCHEMBL25504694 0.73 ADORA1 (0.41)
SCHEMBL5403467 0.73 TRDMT1 (0.35)

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-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed