SCHEMBL24752129

SCHEMBL24752129

O=C(O)c1ccnc2c1OCCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 5/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
KDM4A O75164 3/20 0.35
RAB9A P51151 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
HIF1AN Q9NWT6 1/20 0.35
KDM5A P29375 5/20 0.35
KDM5B Q9UGL1 5/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
KDM4C Q9H3R0 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL15306831 0.93 KDM4E (0.41) SMN1; SMN2KDM4EASPHKDM8L3MBTL1
SCHEMBL3194003 0.83 KDM4E (0.41) SMN1; SMN2KDM4EASPHKDM8L3MBTL1
SCHEMBL21818593 0.79 ACHE (0.40) SMN1; SMN2KDM4EASPHKDM8L3MBTL1
SCHEMBL31133522 0.79 KDM4E (0.38) SMN1; SMN2KDM4EASPHKDM8L3MBTL1
SCHEMBL21819163 0.79 KDM4E (0.38) SMN1; SMN2KDM4EASPHKDM8L3MBTL1
SCHEMBL3581100 0.78 PARP1 (0.47) KDM4EL3MBTL1TDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL3585465 0.77 PARP1 (0.46) KDM4EL3MBTL1TDP1ALDH1A1TSHR
SCHEMBL24752130 0.76 KDM4C (0.35) KDM4EASPHKDM8KDM4AKDM5A
SCHEMBL24469508 0.76 BUB1 (0.30)
SCHEMBL27138365 0.75 KDM4E (0.40) SMN1; SMN2KDM4EASPHKDM8L3MBTL1

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
EP-4105218-A1 SUBSTITUTED PYRROLO[2,3-D] PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-21 EP disclosed