SCHEMBL9502860

SCHEMBL9502860

CCOC(=O)c1cn(CCO)nn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
GLA P06280 1/20 0.55
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.44
SPR P35270 1/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL12223728 0.89 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL15931713 0.86 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL23382244 0.86 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL16093587 0.85 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL29224422 0.85 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL2027803 0.84 MGAM (0.46) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL25333351 0.82 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL3677898 0.81 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL9325575 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL29224532 0.80 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321187-B1 6-(SUBSTITUTED METHYLENE)PENEMS BEECHAM GROUP PLC (GB) 1993-07-28 EP disclosed
US-4931434-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-06-05 US disclosed
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US disclosed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed
EP-0321187-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed