SCHEMBL19412771

SCHEMBL19412771

C[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](c2ccc3c(N)ncnn23)C[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.61
▸ P2RY1 P47900 6/20 0.40
▸ P2RY2 P41231 4/20 0.40
▸ P2RY11 Q96G91 1/20 0.40
▸ P2RX1 P51575 3/20 0.38
▸ P2RX3 P56373 3/20 0.38
▸ P2RX4 Q99571 2/20 0.38
▸ P2RY4 P51582 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.35
▸ RNASEL Q05823 2/20 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
SCHEMBL17106862 0.87 POLRMT (0.58) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL19779239 0.87 POLRMT (0.58) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL20960018 0.86 POLRMT (0.58) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL20755989 0.86 POLRMT (0.72) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL20960149 0.85 POLRMT (0.58) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL16699126 0.84 POLRMT (0.64) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL20834806 0.82 POLRMT (0.59) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL25077197 0.82 POLRMT (0.43) POLRMT
SCHEMBL20834808 0.80 POLRMT (0.56) POLRMTP2RY1P2RY2P2RY11P2RX1
SCHEMBL21120428 0.80 POLRMT (0.56) POLRMTP2RY1P2RY2P2RY11P2RX1

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-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
Send feedback