SCHEMBL9531247

SCHEMBL9531247

CCN1C(=C(C(=O)c2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc2)C(=O)c2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc2)Sc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC6 Q9UBN7 7/20 0.38
▸ HDAC3 O15379 4/20 0.38
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ USP2 O75604 3/20 0.37
▸ CRHBP P24387 2/20 0.37
▸ CRHR2 Q13324 2/20 0.37
▸ IDE P14735 1/20 0.37
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36

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
SCHEMBL10475163 0.83 HDAC6 (0.45) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750359 0.79 MAPT (0.51) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750352 0.78 BCHE (0.52) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750362 0.77 ALDH1A1 (0.47) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750330 0.76 MAPT (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13750438 0.75 BCHE (0.55) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13757997 0.75 ALDH1A1 (0.45) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750355 0.75 ALDH1A1 (0.51) MAPTALDH1A1HTTHPGDHDAC6
SCHEMBL13750343 0.73 BCHE (0.55) MAPTALDH1A1HTTHPGDMEN1
SCHEMBL9340150 0.73 MAPT (0.50) MAPTALDH1A1HTTHPGDMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 — — US disclosed
EP-0332044-B1 HETEROCYCLIC COMPOUNDS CONTAINING 4,6-BIS-TRICHLOROMETHYL-S-TRIAZIN-2-YL GROUPS, PROCESS FOR THEIR PREPARATION AND PHOTOSENSITIVE MIXTURE CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-16 — — EP disclosed
US-5055579-A Photoinitiators; high sensitivity in visible spectral range; stability HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 — — US disclosed
EP-0332044-A1 Heterocyclic compounds containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-13 — — EP disclosed
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