SCHEMBL29951439

SCHEMBL29951439

O=C(O)/C=C\c1ccc[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
RAB9A P51151 3/20 0.68
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
KDM4E B2RXH2 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HCAR2 Q8TDS4 4/20 0.48
HDAC3 O15379 1/20 0.48
TNKS O95271 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL1079166 1.00 MAPT (0.68) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL1079165 1.00 MAPT (0.68) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL10384632 0.85 MAPT (0.65) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL20517908 0.84 MAPT (0.64) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL3462948 0.82 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL30478655 0.82 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL2491340 0.82 MAPT (0.61) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL981600 0.81 MAPT (1.00) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL12948682 0.81 MAPT (1.00) MAPTRAB9AMAPK1SMN1; SMN2NPC1
SCHEMBL11787354 0.80 MAPT (0.59) MAPTRAB9AMAPK1SMN1; SMN2NPC1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed