SCHEMBL13908709

SCHEMBL13908709

Cc1c(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc2n1CCSSCCn1c(C)c(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ APP P05067 2/20 0.42
▸ MEN1 O00255 9/20 0.39
▸ KMT2A Q03164 9/20 0.39
▸ USP2 O75604 2/20 0.39
▸ APOBEC3G Q9HC16 2/20 0.39
▸ TNNI3 P19429 1/20 0.39
▸ TNNT2 P45379 1/20 0.39
▸ TNNC1 P63316 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ THRB P10828 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ APOBEC3A P31941 1/20 0.35

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
SCHEMBL15215272 0.83 MAPT (0.47) MAPTAPPMEN1KMT2AUSP2
SCHEMBL7002749 0.74 ALDH1A1 (0.49) MAPTAPPMEN1KMT2AGPR55
Hydrochloric Acid SCHEMBL29371343 0.73 ALDH1A1 (0.48) MAPTAPPMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL21592194 0.73 ALDH1A1 (0.48) MAPTAPPMEN1KMT2ALMNA
SCHEMBL8478742 0.70 BCHE (0.52) MAPTAPPMEN1KMT2AUSP2
SCHEMBL8478740 0.70 BCHE (0.52) MAPTAPPMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL14895453 0.69 BCHE (0.51) MAPTAPPMEN1KMT2AUSP2
SCHEMBL14299350 0.69 MAPT (0.52) MAPTAPPMEN1KMT2AUSP2
SCHEMBL6128351 0.69 MAPT (0.52) MAPTAPPMEN1KMT2AUSP2
SCHEMBL13531861 0.68 MAPT (0.54) MAPTAPPMEN1KMT2ALMNA

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-2009037348-A1 INDOLINIUM-DERIVED THIOL/DISULFIDE DYE, DYE COMPOSITION COMPRISNG THIS DYE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-03-26 — — WO disclosed
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