SCHEMBL27793466

SCHEMBL27793466

BrCCCOc1ccc(C2=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC2=N3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 1/20 0.40
▸ HRH3 Q9Y5N1 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL28355572 0.87 CYP2D6 (0.33) KDM4EMAPTCYP1A2CYP2D6CYP19A1
SCHEMBL585219 0.85 NR5A1 (0.43) KDM4EMAPTL3MBTL1LTA4HCYP1A2
SCHEMBL588822 0.85 NR5A1 (0.43) KDM4EMAPTL3MBTL1LTA4HCYP1A2
Pyridine SCHEMBL28010655 0.82 CYP2D6 (0.52) LSSKDM4EMAPTLMNAL3MBTL1
SCHEMBL585087 0.81 — —
SCHEMBL27814703 0.80 CHRNB2 (0.36) LSSKDM4EHDAC3HDAC4HDAC1
SCHEMBL14806869 0.78 MAOA (0.40) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL14806854 0.78 MAOA (0.40) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL4219044 0.78 LSS (0.59) LSSHRH3KCNA3KCNH2HRH1
SCHEMBL14806861 0.77 MAOA (0.39) HRH3HDAC3HDAC4HDAC1HDAC7

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-101851256-B Ruthenium (II) porphyrin complex connected by flexible carbon chain and preparation method and application thereof UNIV GUANGDONG PHARM 2013-01-09 — — CN disclosed
CN-101851256-A Ruthenium (II) porphyrin complex connected by flexible carbon chain and preparation method and application thereof GUANGDONG PHARMACEUTICAL UNIVERSITY 2010-10-06 — — CN disclosed
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