SCHEMBL9418611

SCHEMBL9418611

C1CN(c2nc(N3CCOCC3)nc(N3CCN(c4nc(N5CCOCC5)nc(N5CCOCC5)n4)CC3)n2)CCO1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MAPK1 P28482 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LMNA P02545 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PIK3R1 P27986 3/20 0.55
▸ PIK3CA P42336 3/20 0.55
▸ MTOR P42345 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL8973821 0.97 HTT (0.63) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL28641102 0.85 HTT (0.53) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL9619196 0.85 KDM4E (0.58) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL1308905 0.85 MAPT (0.61) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL1443593 0.85 PIK3CA (0.61) HTTKDM4EMAPK1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30702225 0.84 PIK3CA (0.59) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL778162 0.84 HRH1 (0.65) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL11364292 0.84 HTT (0.61) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL778143 0.84 HRH1 (0.65) HTTKDM4EMAPK1SMN1; SMN2LMNA
SCHEMBL6740206 0.83 LMNA (0.70) HTTKDM4ELMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5116891-A Bistriazinylpiperazine and ammonium polyphosphate mixtures with olefin polymers HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 — — US claimed
EP-0441134-A2 Flame retardant polymeric compositions HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 — — EP claimed
EP-0441135-B1 Selfextinguishing polyurethanes HOECHST AG (DE) 1994-10-05 — — EP disclosed
US-5116891-A Bistriazinylpiperazine and ammonium polyphosphate mixtures with olefin polymers HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-26 — — US disclosed
US-5099017-A N,N'-BIS-1,3,5-TRIAZIN-6-YLPIPERAZINES, AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-24 — — US disclosed
US-5096961-A Ammonium polyphosphate and bis/triazinyl/piperazine as fireproofing synergist HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
EP-0441135-A2 Selfextinguishing polyurethanes HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 — — EP disclosed
EP-0441134-A2 Flame retardant polymeric compositions HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 — — EP disclosed
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