SCHEMBL8075559

SCHEMBL8075559

CCCCCCCCCSc1nc(N)nc(NC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CXCR2 P25025 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL17577089 0.90 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL22246694 0.89 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL8077053 0.85 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL11135378 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL8071980 0.82 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL24831476 0.81 MAPT (0.45) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL17563602 0.79 CXCR2 (0.40) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL18675211 0.79 HSP90AA1 (0.49) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL18466753 0.78 CXCR2 (0.39) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL11799528 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648755-B1 Improved process for the preparation of 2,4-di(alkylamino)-6-alkylthio-s-triazines and 2-alkylamino-4,6-di(alkylthio)-s-triazines CIBA SC HOLDING AG (CH) 2000-08-02 — — EP disclosed
US-5420274-A Process for the preparation of 2,4-di(alkylamino)-6-alkylthio-s-triazines CIBA-GEIGY CORPORATION (US) 1995-05-30 — — US disclosed
EP-0648755-A1 Improved process for the preparation of 2,4-Di(alkylamino)-6-alkylthio-s-triazines CIBA-GEIGY AG (CH) 1995-04-19 — — EP disclosed
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