SCHEMBL29033499

SCHEMBL29033499

COC(=O)/C=C/c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ MTNR1A P48039 2/20 0.47
▸ MTNR1B P49286 2/20 0.47
▸ PIK3CA P42336 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45

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
SCHEMBL29033496 0.85 MTNR1A (0.53) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL22747549 0.85 MTNR1A (0.53) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL29033495 0.83 PTGS2 (0.46) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL22161378 0.83 TUBB4A (0.49) MTNR1AMTNR1BPIK3CAMTORTUBB4A
SCHEMBL18932674 0.77 KMT2A (0.66) PDE4BKMT2AMEN1ALDH1A1LMNA
SCHEMBL14519056 0.76 PIK3CA (0.51) PIK3CAMTORPIK3CGTUBB4ATUBB
SCHEMBL29033534 0.75 MAPT (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18670699 0.73 CYP2D6 (0.52) CCNCCDK8MTNR1AMTNR1BKMT2A
SCHEMBL10832846 0.72 KDM4E (0.50) MTNR1AMTNR1BPIK3CAMTORPIK3CG
SCHEMBL29033515 0.72 MEN1 (0.46) MTNR1AMTNR1BTUBB4ATUBBTUBA3C

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-116178243-A Preparation method and application of (hetero) aryl fused carbazole compound 西南医科大学 2023-05-30 — — CN disclosed
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