SCHEMBL30628024

SCHEMBL30628024

COc1ccccc1C1C(C#N)=C(N)Oc2cc(N(C)C)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
NPSR1 Q6W5P4 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 4/20 0.66
LMNA P02545 3/20 0.66
TUBB4A P04350 2/20 0.66
TUBB P07437 2/20 0.66
TUBA3C P0DPH7 2/20 0.66
TUBA1B P68363 2/20 0.66
TUBA4A P68366 2/20 0.66
TUBB4B P68371 2/20 0.66
TUBB3 Q13509 2/20 0.66
TUBB2A Q13885 2/20 0.66
TUBB8 Q3ZCM7 2/20 0.66
TUBA3E Q6PEY2 2/20 0.66
TUBA1A Q71U36 2/20 0.66
TUBA1C Q9BQE3 2/20 0.66
TUBB6 Q9BUF5 2/20 0.66
TUBB2B Q9BVA1 2/20 0.66
TUBB1 Q9H4B7 2/20 0.66

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
SCHEMBL28648589 1.00 MAPT (0.66) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL4325550 0.91 MAPT (0.77) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL14758475 0.88 MAPT (0.77) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL4331808 0.88 ALDH1A1 (0.65) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL4319521 0.88 TUBB4A (0.67) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL4342467 0.86 TUBB4A (0.70) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL28658257 0.85 MEN1 (0.65) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL30628035 0.85 MEN1 (0.65) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL4319491 0.85 TUBB4A (0.72) MAPTNPSR1SMN1; SMN2NPC1LMNA
SCHEMBL30628030 0.84 NPC1 (0.72) MAPTNPSR1SMN1; SMN2NPC1LMNA

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-113620919-B Mechanical ball milling assisted synthesis method of 2-amino-3-cyano-4H-pyran compound 浙江工业大学 2023-12-12 CN disclosed