SCHEMBL28608967

SCHEMBL28608967

COc1ccc(/C=C/C(=O)/C=C/c2ccc(OC)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 1/20 0.56
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54

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
SCHEMBL12244187 0.89 POLB (0.49) F3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1124610 0.88 P4HTM (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL30034522 0.88 P4HTM (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL1124609 0.88 P4HTM (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL20139654 0.88 P4HTM (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL28609817 0.88 GSK3B (0.60) F3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL8664419 0.87 FDPS (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL17339657 0.87 NNMT (0.54) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL8664417 0.87 FDPS (0.58) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL3870743 0.83 FDPS (0.61) NPC1RAB9ALMNASMN1; SMN2MAPT

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
CN-113234011-A Curcumin analogue containing pyridine structure and preparation method and application thereof 西南医科大学附属中医医院 2021-08-10 CN disclosed