SCHEMBL25829540

SCHEMBL25829540

O=C(C(CCc1ccc2c(=O)c3ccccc3sc2c1)C(=O)N(CCO)CCO)N(CCO)CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
HCRTR1 O43613 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAOA P21397 5/20 0.34
MAOB P27338 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 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
SCHEMBL25828103 0.82 ALDH1A1 (0.43) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL2309971 0.79 KDM4E (0.47) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL25829526 0.77 GABRP (0.42) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL25849865 0.76 ALDH1A1 (0.38) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL14436298 0.72 KDM4E (0.48) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL2315780 0.72 KDM4E (0.42) KDM4EMAPTALDH1A1L3MBTL1RAB9A
SCHEMBL18242408 0.72 ALDH1A1 (0.46) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL18243738 0.71 MAPT (0.48) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL2307395 0.71 KDM4E (0.55) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL25829556 0.71 ALDH1A1 (0.41) KDM4EMAPTALDH1A1LMNAPOLB

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
WO-2023126223-A1 POLYHYDROXYLATED PHOTOINITIATORS ARKEMA FRANCE (FR) 2023-07-06 WO disclosed