SCHEMBL5402971

SCHEMBL5402971

CC1N(C)c2ccc3ccccc3c2C1(C)C.COS(=O)(=O)O

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 known ✓ P11229 1/20 0.32
▸ CHRM3 known ✓ P20309 1/20 0.32
▸ KDM4E B2RXH2 7/20 0.35
▸ MAPT P10636 7/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ THRB P10828 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ RAD52 P43351 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
Sulfuric Acid SCHEMBL5402176 0.92 KDM4E (0.38) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL5366743 0.87 KDM4E (0.42) KDM4EMAPTMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL5413352 0.85 KDM4E (0.41) KDM4EMAPTMEN1KMT2AMAPK1
Iodide SCHEMBL5406302 0.85 KDM4E (0.41) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL5398797 0.76 MEN1 (0.44) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL25231228 0.75 MLNR (0.41) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL2958162 0.74 CNR1 (0.44) KDM4EMAPTMEN1KMT2AMAPK1
Water SCHEMBL10433024 0.72 HTR7 (0.34) KDM4EMAPTMEN1KMT2AMAPK1
Bromide SCHEMBL14958477 0.71 CYP1A2 (0.43) KDM4EMAPTMEN1KMT2APOLB
Bromide SCHEMBL14958485 0.71 HRH3 (0.42) MAPTPOLBHPGDTDP1MLNR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 — — US claimed
EP-1054657-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-01-07 — — EP claimed
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 — — US disclosed
EP-1054657-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-01-07 — — EP disclosed
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