SCHEMBL9255692

SCHEMBL9255692

COCC(NC=S)n1nc(N2CCOCC2)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CA P42336 4/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CG P48736 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32
MET P08581 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MTOR P42345 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
SCHEMBL9250851 0.85 POLB (0.34) TSHRALDH1A1LMNAHTTNPSR1
SCHEMBL9159849 0.83 ALDH1A1 (0.33) TSHRALDH1A1LMNAHTTNPSR1
SCHEMBL9254714 0.81 PIK3CA (0.34) ALDH1A1MAPK1SMN1; SMN2LMNAHTT
SCHEMBL9248313 0.79 MEN1 (0.48) TSHRALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9165673 0.77 POLB (0.39) TSHRALDH1A1MAPK1LMNAHTT
SCHEMBL9158552 0.76 GAA (0.37) TSHRALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL9255695 0.76 ALDH1A1 (0.36) TSHRALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL9159880 0.72 HRH2 (0.41) TSHRALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL9254724 0.68 PIK3CA (0.35) ALDH1A1MAPK1SMN1; SMN2LMNAHTT
SCHEMBL9250021 0.66 GAA (0.36) ALDH1A1MAPK1SMN1; SMN2LMNAHTT

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-0434982-B1 5-(Amino)-triazolylcarbothioamide derivatives, process for their preparation and medicines containing them, as well as use of the former EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1995-03-15 EP disclosed
US-5276030-A Tranquilizers, antispasmodics, antidepressants EGIS GYOGYSZERGYAT (HU) 1994-01-04 US disclosed
US-5175163-A Tranquilizer, antidepresant, antispasmodic, analgesic and antiinflammatory agent EGIS GYOGYSZERGYAR (HU) 1992-12-29 US disclosed
EP-0434982-A2 5-(Amino)-triazolylcarbothioamide derivatives, process for their preparation and medicines containing them, as well as use of the former EGIS GYOGYSZERGYAR (HU) 1991-07-03 EP disclosed