SCHEMBL12633075

SCHEMBL12633075

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 2/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ TOP1 P11387 2/20 0.40
▸ MLNR O43193 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAOA P21397 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
SCHEMBL12057451 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057448 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057440 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057455 0.97 TERT (0.43) TERTENPP2TOP1MLNRNR1I2
SCHEMBL12057454 0.97 TERT (0.43) TERTENPP2TOP1MLNRNR1I2
SCHEMBL12057450 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12428034 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057441 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057400 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB
SCHEMBL12057426 0.97 TERT (0.43) TERTENPP2TOP1ABCG2RARB

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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