SCHEMBL10395652

SCHEMBL10395652

CC(C)CN(C)CC(C)C.Sc1nc(S)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSL P07711 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL7619652 0.80 KDM4E (0.48) ALDH1A1LMNAHTTHPGDSMN1; SMN2
SCHEMBL28641102 0.77 HTT (0.53) ALDH1A1NPSR1LMNAHTTHPGD
SCHEMBL10395711 0.77 PIK3CD (0.38) PIK3CD
SCHEMBL28640929 0.72 KDM4E (0.59) ALDH1A1LMNAHTTTSHRHPGD
SCHEMBL7531287 0.72 ALDH1A1 (0.64) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL28630449 0.71 ALDH1A1 (0.62) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL10395650 0.70 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL8973821 0.67 HTT (0.63) ALDH1A1NPSR1LMNAHTTHPGD
SCHEMBL19111287 0.66 KMT2A (0.53) ALDH1A1NPSR1LMNAHTTTSHR
SCHEMBL10395758 0.66 PIK3CD (0.31) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906751-A Mercaptotriazine derivatives as lubricant additives CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
EP-0317513-A2 Mercaptotriazine derivatives as lubricant additives CIBA-GEIGY AG (CH) 1989-05-24 EP disclosed