SCHEMBL13839775

SCHEMBL13839775

CCN(CC(=O)NCCSSCCNC(=O)Cn1c(C)[n+](C)c2ccccc21)c1ccccc1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ RGS12 O14924 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 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 0.85 ATM (0.51) ATMALDH1A1KDM4ETSHRHPGD
Hydrochloric Acid SCHEMBL3290887 0.84 ATM (0.50) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL13839765 0.74 ATM (0.41) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL3820058 0.67 ALDH1A1 (0.33) ATMALDH1A1KDM4ETSHRHPGD
SCHEMBL3820056 0.67 ALDH1A1 (0.33) ATMALDH1A1KDM4ETSHRHPGD
Hydrochloric Acid SCHEMBL3292225 0.66 ALDH1A1 (0.33) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL18968650 0.64 KDM4E (0.58) ATMALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3933371 0.63 SMN1; SMN2 (0.71) ALDH1A1HTTTHRBPOLBL3MBTL1
SCHEMBL3818026 0.61 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHTTTHRB
SCHEMBL3818024 0.61 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHTTTHRB

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
Send feedback