SCHEMBL8077053

SCHEMBL8077053

CCCCCCCCCCSc1nc(N)nc(NCCCCCCCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ DNM2 P50570 7/20 0.43
▸ CXCR2 P25025 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ TLR8 Q9NR97 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNH3 Q9ULD8 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ NPC1 O15118 1/20 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
SCHEMBL8072012 0.89 DNM2 (0.48) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8077020 0.89 KMT2A (0.51) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL17577089 0.87 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8071819 0.86 DNM2 (0.48) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8070293 0.85 KMT2A (0.44) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8075559 0.85 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8077182 0.83 KMT2A (0.51) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL22686843 0.82 KMT2A (0.60) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL754956 0.82 KMT2A (0.53) SMN1; SMN2LMNAMAPTALDH1A1HPGD
SCHEMBL8050064 0.82 KMT2A (0.57) SMN1; SMN2LMNAMAPTALDH1A1HPGD

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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