SCHEMBL13839765

SCHEMBL13839765

Cc1n(CC(=O)NCCSSCCNC(=O)CN2c3ccccc3N(C)C2C)c2ccccc2[n+]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ RGS12 O14924 2/20 0.35
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 4/20 0.34
▸ LMNA P02545 4/20 0.33
▸ TSHR P16473 3/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL3834029 0.87 ATM (0.51) ATML3MBTL1POLBTHRBALDH1A1
Hydrochloric Acid SCHEMBL3290887 0.85 ATM (0.50) ATML3MBTL1POLBTHRBALDH1A1
SCHEMBL13839775 0.74 ATM (0.39) ATML3MBTL1POLBTHRBALDH1A1
SCHEMBL3820056 0.66 ALDH1A1 (0.33) ATML3MBTL1POLBTHRBALDH1A1
SCHEMBL3820058 0.66 ALDH1A1 (0.33) ATML3MBTL1POLBTHRBALDH1A1
Hydrochloric Acid SCHEMBL3292225 0.66 ALDH1A1 (0.33) L3MBTL1POLBTHRBALDH1A1KDM4E
SCHEMBL18968650 0.65 KDM4E (0.58) ATMPOLBALDH1A1KDM4ERGS12
SCHEMBL3933371 0.64 SMN1; SMN2 (0.71) L3MBTL1POLBTHRBALDH1A1MEN1
SCHEMBL3818024 0.63 ALDH1A1 (0.33) L3MBTL1POLBTHRBALDH1A1KDM4E
SCHEMBL3818026 0.63 ALDH1A1 (0.33) L3MBTL1POLBTHRBALDH1A1KDM4E

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
EP-2062945-A2 Hemicyanin styryl thiol/disulfide dye, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-05-27 — — EP disclosed
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