SCHEMBL13864637

SCHEMBL13864637

CN(C)c1ccc2c(c1)N(CCCS(=O)(=O)O)/C(=C/c1sc3ccc4ccccc4c3[n+]1CCCS(=O)(=O)O)S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.35
▸ POLB P06746 6/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ MEN1 O00255 8/20 0.34
▸ KMT2A Q03164 8/20 0.34
▸ LMNA P02545 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PRMT1 Q99873 3/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13864626 0.94 SNCA (0.38) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13864665 0.90 POLB (0.36) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL5694896 0.89 MAPT (0.41) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL5694897 0.89 MAPT (0.41) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13648514 0.88 MAPT (0.42) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13864724 0.88 MAPT (0.42) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL14574115 0.88 MAPT (0.34) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13864649 0.88 POLB (0.35) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13864668 0.87 MEN1 (0.37) MAPTPOLBTDP1HPGDCYP2C19
SCHEMBL13864634 0.86 MEN1 (0.36) MAPTPOLBTDP1HPGDCYP2C19

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-7531298-B2 Silver halide color photosensitive material FUJIFILM CORPORATION (JP) 2009-05-12 — — US disclosed
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