SCHEMBL26552016

SCHEMBL26552016

CS/C(=C/C#N)c1ccc(C(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
PGR P06401 1/20 0.37
HSD17B1 P14061 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
NLRP1 Q9C000 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL24285671 0.81 GABRA1 (0.38) HPGDLMNAMAPTALDH1A1RAB9A
SCHEMBL24340796 0.77 SMN1; SMN2 (0.48) MAPTALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL50646 0.68 MAPT (0.68) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL195321 0.68 HPGD (0.70) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL163209 0.66 ALDH1A1 (0.72) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL15976681 0.66 HPGD (0.59) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL24855400 0.66 RECQL (0.38) HPGDLMNAALDH1A1RAB9AKMT2A
Acetophenone SCHEMBL27814875 0.64 MAPT (0.50) HPGDLMNAL3MBTL1MAPTALDH1A1
Water SCHEMBL9631932 0.64 HSD17B1 (0.76) HPGDLMNAL3MBTL1MAPTALDH1A1
SCHEMBL28455796 0.63

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
WO-2023183628-A9 TARGETED DELIVERY JUDO BIO INC. (US) 2023-11-30 WO disclosed
WO-2023183628-A2 TARGETED DELIVERY JUDO BIO INC. (US) 2023-09-28 WO disclosed