SCHEMBL12668271

SCHEMBL12668271

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.43
▸ THRB P10828 3/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ ITGA4 P13612 1/20 0.42
▸ NAPEPLD Q6IQ20 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ ACHE P22303 3/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ BRSK1 Q8TDC3 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL12633095 0.98 THRA (0.44) THRATHRBHCRTR1ITGA4NAPEPLD
SCHEMBL12668273 0.93 TSHR (0.41) —
SCHEMBL12633106 0.92 THRA (0.40) THRATHRBHCRTR1ITGA4NAPEPLD
SCHEMBL12633055 0.90 ACHE (0.46) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL12633103 0.88 MLNR (0.38) HTR1A
SCHEMBL584884 0.87 TSHR (0.47) —
SCHEMBL14449207 0.86 THRA (0.46) THRATHRBHTR1AHTR1DHTR1B
SCHEMBL6843058 0.85 CYP1A2 (0.48) —
SCHEMBL12668270 0.85 ENPP2 (0.37) —
SCHEMBL8031578 0.83 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288528-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti—Società di Esercizio S.p.A. (IT) 2012-10-16 — — US disclosed
US-20110112464-A1 MESO-SUBSTITUTED PORPHYRINS L. MOLTENI & C. DEI FRATELLI ALITTI SOCIETA DI ESERCIZIO S.P.A. (IT) 2011-05-12 — — US disclosed
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