SCHEMBL235799

SCHEMBL235799

C1CS[C](C2NCCS2)N1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.38
ERN1 O75460 1/20 0.34
INMT O95050 1/20 0.30

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
SCHEMBL1447816 0.70 MAPT (0.45) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL8692422 0.67 MAPT (0.42) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL5711878 0.64 CHRNB2 (0.38) SMN1; SMN2
SCHEMBL28222341 0.64 MAPT (0.44) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL7213681 0.63 MAPT (0.39) MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL4638899 0.63 MAPT (0.40) MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL9051653 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4153725 0.63 MAPT (0.61) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL4189196 0.62 SLC18A3 (0.35) MAPTINMT
SCHEMBL17555020 0.62 INMT (0.31) INMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
EP-2427458-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20120000533-A1 PHOTOELECTRIC CONVERSION DEVICE COMPRISING HYDROXAMIC ACID OR A SALT THEREOF AS ADDITIVE AND PROCESS FOR PRODUCING SAME BASF SE (DE) 2012-01-05 US disclosed
EP-1082010-A1 FUNGICIDE MIXTURES BASED ON TRIPLE OXIME ETHER DERIVATIVES AND ADDITIONAL FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-14 EP disclosed
WO-1999048369-A1 FUNGICIDE MIXTURES BASED ON TRIPLE OXIME ETHER DERIVATIVES AND ADDITIONAL FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed