SCHEMBL13908706

SCHEMBL13908706

CC(=O)NCCSSCCNC(=O)CN1c2ccccc2C(C)(C)C1/C=C/c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL3820058 0.69 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL3820056 0.69 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL3292225 0.69 ALDH1A1 (0.33) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL13294112 0.67 KMT2A (0.32) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL30139605 0.67 HPGD (0.33) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13908743 0.67 APP (0.47) MAPTHDAC1HDAC6
SCHEMBL30139606 0.67 KDM4E (0.32) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13908683 0.66 VDR (0.41) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL13327489 0.66 CHRM2 (0.38) ALDH1A1TSHR
SCHEMBL13294211 0.66 LMNA (0.32) KMT2AMEN1ALDH1A1LMNAGAA

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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