SCHEMBL29033495

SCHEMBL29033495

COC(=O)C=Cc1c(-c2ccc(Br)cc2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.46
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ PDE4B Q07343 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 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 0.90 MTNR1A (0.53) PTGS2MTNR1AMTNR1BPDE4BMEN1
SCHEMBL29033496 0.90 MTNR1A (0.53) PTGS2MTNR1AMTNR1BPDE4BMEN1
SCHEMBL22161378 0.88 TUBB4A (0.49) PTGS2MTNR1AMTNR1BPDE4BMEN1
SCHEMBL29033499 0.83 CCNC (0.50) MTNR1AMTNR1BPDE4BMEN1KMT2A
SCHEMBL18932674 0.79 KMT2A (0.66) PDE4BMEN1KMT2AMAPTALDH1A1
SCHEMBL29033534 0.77 MAPT (0.47) PDE4BMEN1KMT2AMAPTALDH1A1
SCHEMBL29033515 0.76 MEN1 (0.46) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL14709940 0.76 NR4A2 (0.61) PTGS2MEN1KMT2AALDH1A1TUBB4A
SCHEMBL29033517 0.74 MEN1 (0.63) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL23690433 0.73 L3MBTL1 (0.55) PDE4BMEN1KMT2AMAPTALDH1A1

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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