SCHEMBL8353453

SCHEMBL8353453

Nc1nc2c(c(=O)[nH]1)NCN2C1CC(CO)(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.45
▸ NOS1 P29475 5/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PAH P00439 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9406906 0.82 HPRT1 (0.37) HPRT1NOS1ALDH1A1KMT2A
SCHEMBL10395198 0.78 HPRT1 (0.43) HPRT1NOS1NOS3NOS2
SCHEMBL3436892 0.78 HPRT1 (0.43) HPRT1NOS1NOS3NOS2
SCHEMBL10394262 0.78 HPRT1 (0.42) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9310753 0.78 HPRT1 (0.46) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9309722 0.77 HPRT1 (0.41) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9308669 0.77 HPRT1 (0.41) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9021973 0.76 HPRT1 (0.43) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9021971 0.74 HPRT1 (0.40) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9309013 0.73 HPRT1 (0.42) HPRT1NOS1NOS3NOS2PAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 — — US disclosed
EP-0689460-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1996-01-03 — — EP disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 — — US disclosed
US-5246931-A Triazine-substituted cyclobutane derivatives; viricides; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-21 — — US disclosed
US-5153352-A Viricides and antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1992-10-06 — — US disclosed
EP-0366059-A2 Carbocyclic nucleoside analogs BRISTOL-MYERS SQUIBB COMPANY (US) 1990-05-02 — — EP disclosed
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