SCHEMBL8490366

SCHEMBL8490366

CCOCc1nc(Sc2ccccc2)[nH]c1SC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.36
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
TYMS P04818 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
Diphenylsulfane SCHEMBL2473223 0.66 KCNH2 (0.45) ALDH1A1L3MBTL1HPGDMAPTTUBB4A
SCHEMBL10355248 0.64 MAPT (0.46) ALDH1A1POLBLMNAKDM4EHPGD
SCHEMBL8562378 0.63 DHFR (0.45) DHFRALDH1A1POLBTDP1LMNA
Hydrochloric Acid SCHEMBL10355455 0.63 MAPT (0.45) ALDH1A1POLBLMNAKDM4EHPGD
SCHEMBL10355310 0.62 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10355429 0.61 MAPT (0.50) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL11386138 0.60 L3MBTL1 (0.44) DHFRL3MBTL1TYMS
Diphenylsulfane SCHEMBL28115694 0.58 SLC6A4 (0.47) DHFRALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1879820 0.58 BCHE (0.59) ALDH1A1POLBTDP1LMNAKDM4E
SCHEMBL30831170 0.58 BCHE (0.59) ALDH1A1POLBTDP1LMNAKDM4E

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
WO-1999006377-A1 DERIVATIVES OF 1-((3,3-DIMETHYL-3-SILABUTOXY)METHYL)-2-(PHENYLSULFONYL)IMIDAZOLE GLIATECH, INC. (US) 1999-02-11 WO disclosed