SCHEMBL3373060

SCHEMBL3373060

CC(C)Oc1ccnc2ccc(C=C3SC(NC(=O)O)=NC3=O)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2C Q14957 1/20 0.35
HTT P42858 1/20 0.35
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL3371464 0.88 KDM4E (0.34) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3371468 0.88 KDM4E (0.34) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3375305 0.82 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3372661 0.82 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL14337697 0.81 MKNK2 (0.35) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3375886 0.81 MKNK2 (0.35) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3375625 0.81 MKNK2 (0.35) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3370330 0.80 ALDH1A1 (0.34) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3370325 0.80 ALDH1A1 (0.34) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3374050 0.79 ALDH1A1 (0.36) MAPTALDH1A1HPGDSMN1; SMN2MEN1

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-1869036-B1 SUBSTITUTED 1,5-NAPHTHYRIDINE AZOLIDINONES AS CDK INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-03 EP claimed