SCHEMBL13746379

SCHEMBL13746379

C=[N+](C)CCN(C)C1=C/C(=C\c2sc3cc(S(=O)(=O)N4CCCCC4)ccc3[n+]2C)c2ccccc2N1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MCOLN3 Q8TDD5 2/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1105648 0.91 ALDH1A1 (0.33) ALDH1A1HPGDKDM4ELMNAMCOLN3
SCHEMBL1105654 0.90 ALDH1A1 (0.32) ALDH1A1HPGDKDM4ELMNAMCOLN3
SCHEMBL1105649 0.85 KMT2A (0.32) ALDH1A1HPGDKDM4ELMNAMCOLN3
SCHEMBL1105701 0.83 KDM4E (0.38) ALDH1A1HPGDKDM4ELMNAMCOLN3
SCHEMBL1105646 0.83 RAB9A (0.31) ALDH1A1HPGDKDM4ELMNARXFP1
SCHEMBL14901810 0.80 — —
SCHEMBL14901822 0.79 — —
SCHEMBL14901821 0.75 — —
SCHEMBL13686240 0.73 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ELMNAMCOLN3
SCHEMBL14901804 0.73 — —

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-7569695-B2 Cyanine dyes substituted by electrophilic groups and/or nucleophilic groups including merocyanine, methine, oxazoline, oxonol, selenazole fluorescent, imidazoline, quinoline, indole, reactive and cationic dyes; labeling reagents for proteins and nucleic acids; genetic probes; amplification; hybridization ENZO LIFE SCIENCES, INC. (US) 2009-08-04 — — US disclosed
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