SCHEMBL6659049

SCHEMBL6659049

CCN1C(=CC=Cc2sc3cc(-c4ccccc4)ccc3[n+]2CC)Sc2cc(-c3ccccc3)ccc21.COS(=O)(=O)[O-]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.61
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HTT P42858 3/20 0.58
▸ BLM P54132 3/20 0.58
▸ APP P05067 7/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ APAF1 O14727 1/20 0.57
▸ ITGB2 P05107 1/20 0.57
▸ ALPL P05186 1/20 0.57
▸ ITGAM P11215 1/20 0.57
▸ GFER P55789 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL6680788 0.94 PRMT1 (0.60) PRMT1MEN1KMT2AHTTBLM
SCHEMBL6676812 0.88 PRMT1 (0.60) PRMT1MEN1KMT2AHTTBLM
SCHEMBL9785944 0.79 PRMT1 (0.60) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070601 0.76 PRMT1 (0.70) PRMT1MEN1KMT2AHTTBLM
Iodide SCHEMBL29556031 0.76 PRMT1 (0.76) PRMT1MEN1KMT2AHTTBLM
Hydrochloric Acid SCHEMBL29556620 0.76 PRMT1 (0.73) PRMT1MEN1KMT2AHTTBLM
Iodide SCHEMBL10821222 0.76 PRMT1 (0.70) PRMT1MEN1KMT2AHTTBLM
Hydrochloric Acid SCHEMBL11536389 0.76 PRMT1 (0.67) PRMT1MEN1KMT2AHTTBLM
SCHEMBL18070477 0.75 PRMT1 (0.69) PRMT1MEN1KMT2AHTTBLM
SCHEMBL14984255 0.74 PRMT1 (0.70) PRMT1MEN1KMT2AHTTBLM

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
WO-2004010761-A2 PESTICIDAL CYANINE DYE DERIVATIVES FMC CORPORATION (US) 2004-02-05 — — WO disclosed
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