SCHEMBL11570722

SCHEMBL11570722

O=C(NCCSCc1cc(Cl)cc(Cl)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
HPGD P15428 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY1R P25929 1/20 0.38

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
Hydrochloric Acid SCHEMBL17633904 0.99 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL25139351 0.75 ALDH1A1 (0.62) ALDH1A1KMT2AHPGDALOX12MAPT
SCHEMBL19399650 0.73 CA3 (0.56) ALDH1A1KMT2AHPGDALOX12SMN1; SMN2
SCHEMBL6379101 0.69 ALDH1A1 (0.61) ALDH1A1KMT2AHPGDGAASMN1; SMN2
SCHEMBL12038867 0.69 ALDH1A1 (0.54) ALDH1A1KMT2AHPGDALOX12SMN1; SMN2
SCHEMBL15022897 0.68 GAA (0.54) ALDH1A1KMT2AHPGDCYP1A2CYP2D6
SCHEMBL25139332 0.67 TSHR (0.69) ALDH1A1KMT2AHPGDALOX12SMN1; SMN2
SCHEMBL22667770 0.67 ALDH1A1 (0.56) ALDH1A1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL1094537 0.67 CNR1 (0.57) CYP1A2CYP2D6CYP2C19GAAMAPT
SCHEMBL5073549 0.67 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463325-A1 MICROPARTICLES COMPRISING A SULPHUR-CONTAINING COMPOUND Novabiotics Limited (GB) 2019-04-10 EP disclosed
WO-2017212249-A1 MICROPARTICLES COMPRISING A SULPHUR-CONTAINING COMPOUND NOVABIOTICS LIMITED (GB) 2017-12-14 WO disclosed
CN-106687140-A Use of cysteamine in treating infections caused by yeasts/moulds 诺瓦生命科学有限公司 2017-05-17 CN disclosed
US-4139635-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1979-02-13 US disclosed
US-4035492-A Oral treatment of seborrhea with cysteamine derivatives L'OREAL (FR) 1977-07-12 US disclosed
US-3950542-A Cysteamine derivatives for oral treatment of seborrhea L'OREAL (FR) 1976-04-13 US disclosed