SCHEMBL9004667

SCHEMBL9004667

CC[n+]1csc2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
MAPT P10636 9/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
CNR2 P34972 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
SCHEMBL7257101 0.90 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL11485433 0.85 LMNA (0.38) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9069378 0.85 C5AR1 (0.40) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5176140 0.82 SMN1; SMN2 (0.44) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL22320986 0.81 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL7251667 0.81 MAPT (0.59) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL1797564 0.79 MAPT (0.62) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3937684 0.79 MAPT (0.58) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
Iodide SCHEMBL3292667 0.79 KDM4E (0.58) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL10391244 0.79 MAPT (0.41) KDM4EMAPTALDH1A1HPGDSMN1; SMN2

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
EP-0734574-A1 OPTICAL VOLUME MEMORY Lockheed Martin Corporation (US) 1996-10-02 EP claimed
WO-1995016994-A2 OPTICAL VOLUME MEMORY LOCKHEED MARTIN CORPORATION (US) 1995-06-22 WO claimed
EP-0734574-A1 OPTICAL VOLUME MEMORY Lockheed Martin Corporation (US) 1996-10-02 EP disclosed
WO-1995016994-A2 OPTICAL VOLUME MEMORY LOCKHEED MARTIN CORPORATION (US) 1995-06-22 WO disclosed