SCHEMBL12633055

SCHEMBL12633055

CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.46
▸ THRA P10827 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ TERT O14746 2/20 0.43
▸ TOP1 P11387 3/20 0.42
▸ TNKS O95271 1/20 0.42
▸ AGER Q15109 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ ATP4A P20648 1/20 0.40
▸ ATP4B P51164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL14449207 0.95 THRA (0.46) ACHETHRATHRBHTR1AHTR1D
SCHEMBL12633095 0.92 THRA (0.44) ACHETHRATHRBHTR1AHTR1D
SCHEMBL12190732 0.92 TERT (0.49) TERTTOP1KDM4EALDH1A1CYP1A2
SCHEMBL8031578 0.92 TERT (0.49) TERTTOP1KDM4EALDH1A1CYP1A2
SCHEMBL2531376 0.92 TERT (0.49) TERTTOP1KDM4EALDH1A1CYP1A2
SCHEMBL12668271 0.90 THRA (0.43) ACHETHRATHRBHTR1AHTR1D
SCHEMBL14449245 0.89 THRA (0.41) ACHETHRATHRBHTR1AHTR1D
SCHEMBL14449240 0.89 THRA (0.41) ACHETHRATHRBHTR1AHTR1D
SCHEMBL14449234 0.89 THRA (0.41) ACHETHRATHRBHTR1AHTR1D
SCHEMBL14449216 0.89 THRA (0.41) ACHETHRATHRBHTR1AHTR1D

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 3 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-7947674-B2 Meso-substituted porphyrins L. Molteni & C. Dei Fratelli Alitti (IT) 2011-05-24 — — 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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