SCHEMBL9319239

SCHEMBL9319239

CNc1nc2cc(O)c(O)cc2nc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.46
PIM2 Q9P1W9 2/20 0.41
PGK1 P00558 3/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IGFBP3 P17936 1/20 0.33
IGFBP5 P24593 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL9319179 0.81 PGK1 (0.58) PGK1ALDH1A1
SCHEMBL9319282 0.80 MAPT (0.56) PIM1PIM2LMNAPOLBALDH1A1
SCHEMBL9318791 0.74 PIM1 (0.50) PIM1
SCHEMBL9319709 0.72 ALDH1A1 (0.42) PIM1PIM2LMNAPOLBALDH1A1
SCHEMBL9319003 0.72 ALDH1A1 (0.42) PIM1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9871154 0.71 ALDH1A1 (0.47) PIM1LMNAPOLBALDH1A1MAPT
SCHEMBL8658426 0.69 MAPT (0.39) PIM1PIM2LMNAPOLBALDH1A1
SCHEMBL9453105 0.68 KDM4C (0.32) PIM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9873241 0.67 ALDH1A1 (0.41) PIM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2179646 0.66 ALDH1A1 (0.48) LMNAPOLBALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 US disclosed
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed