SCHEMBL16058737

SCHEMBL16058737

Nc1nc2ncc(CNC3=CCC(C(=O)O)C=C3)nc2c(=O)[nH]1.Nc1nc2ncc(CNC3=CCC(C(=O)O)C=C3)nc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TYMS P04818 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NOS1 P29475 8/20 0.46
▸ ADORA3 P0DMS8 1/20 0.40
▸ DHFR P00374 2/20 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
SCHEMBL609951 1.00 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Pyrophosphoric Acid SCHEMBL2178852 0.93 POLB (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL29619286 0.85 TYMS (0.66) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL5665622 0.85 TYMS (0.66) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL16681740 0.85 AKR1B1 (0.51) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL17811602 0.82 AKR1B1 (0.45) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL8897352 0.79 TYMS (0.80) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL3980437 0.78 AKR1B1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL7639622 0.76 AKR1B1 (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
Pteroic Acid SCHEMBL245981 0.75 KDM4E (0.69) AKR1B1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160040163-A1 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS INC (US) 2016-02-11 — — US disclosed
EP-2970965-A2 DNAI FOR THE MODULATION OF GENES Pronai Therapeutics, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014144942-A2 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS, INC. (US) 2014-09-18 — — WO disclosed
Send feedback