SCHEMBL29033515

SCHEMBL29033515

CC(C)(C)OC(=O)/C=C/c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ GABRA1 P14867 2/20 0.40
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ GABRA6 Q16445 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40

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
SCHEMBL22747549 0.85 MTNR1A (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29033496 0.85 MTNR1A (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29033517 0.81 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL22747530 0.78 KDM4E (0.47) ALDH1A1MAPTMTNR1AMTNR1BSMN1; SMN2
SCHEMBL22161378 0.76 TUBB4A (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29033495 0.76 PTGS2 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL16789343 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1877477 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1877475 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5369793 0.72 PDE4B (0.45) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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
CN-116178243-B Preparation method and application of (hetero) aryl fused carbazole compound 西南医科大学 2024-11-22 — — CN disclosed
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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