SCHEMBL12633095

SCHEMBL12633095

CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4cccc(OCCN(C)C)c4)c4ccc([nH]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5cccc(OCCN(C)C)c5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 7/20 0.44
▸ THRB P10828 6/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ ITGA4 P13612 1/20 0.43
▸ NAPEPLD Q6IQ20 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ ACHE P22303 3/20 0.43
▸ DYRK3 O43781 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL12668271 0.98 THRA (0.43) THRATHRBHCRTR1ITGA4NAPEPLD
SCHEMBL12633106 0.94 THRA (0.40) THRATHRBHCRTR1ITGA4NAPEPLD
SCHEMBL12633055 0.92 ACHE (0.46) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL12668273 0.91 TSHR (0.41) —
SCHEMBL584884 0.89 TSHR (0.47) —
SCHEMBL14449207 0.88 THRA (0.46) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL6843058 0.87 CYP1A2 (0.48) —
SCHEMBL12633103 0.86 MLNR (0.38) HTR1A
SCHEMBL8031578 0.84 TERT (0.49) —
SCHEMBL12190732 0.84 TERT (0.49) —

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
US-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — US disclosed
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