SCHEMBL11029045

SCHEMBL11029045

CC(SN(SC(C)c1ccccc1)c1nc(Cl)nc(N(SC(C)c2ccccc2)SC(C)c2ccccc2)n1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MPO P05164 1/20 0.31
NFKB1 P19838 2/20 0.30
DAO P14920 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
SCHEMBL11028566 0.91 KMT2A (0.36) ALDH1A1TDP1KMT2AL3MBTL1HPGD
SCHEMBL11027929 0.90 ALDH1A1 (0.36) ALDH1A1TDP1HTTMAPTNPC1
SCHEMBL11157287 0.81 DAO (0.33) ALDH1A1RAB9AKMT2AL3MBTL1SMN1; SMN2
SCHEMBL10351408 0.74 GAA (0.32) ALDH1A1TDP1
SCHEMBL11029494 0.69 PKM (0.34) ALDH1A1KMT2AL3MBTL1LMNAMPO
SCHEMBL11028987 0.68 GAA (0.33) SMN1; SMN2
SCHEMBL11158949 0.67 MAPT (0.44) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL11028741 0.66 L3MBTL1 (0.42) ALDH1A1TDP1HTTMAPTNPC1
SCHEMBL11029993 0.66 ALDH1A1 (0.43) ALDH1A1TDP1HTTMAPTNPC1
SCHEMBL27833841 0.65 KMT2A (0.38) ALDH1A1TDP1KMT2AL3MBTL1KDM4E

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-0078784-B1 THIO-SUBSTITUTED-1,3,5-TRIAZINE-DIAMINES AND -TRIAMINES USEFUL AS PREVULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4460769-A Thio-amino-1,3,5-triazines MONSANTO COMPANY (US) 1984-07-17 US disclosed
EP-0078784-A1 Thio-substituted-1,3,5-triazine-diamines and -triamines useful as prevulcanization inhibitors MONSANTO COMPANY (US) 1983-05-11 EP disclosed
US-4380609-A Prevulcanization inhibitors of thio-triazine-amines for rubber MONSANTO COMPANY (US) 1983-04-19 US disclosed