SCHEMBL9069830

SCHEMBL9069830

c1c(N2CCNCC2)nc(N2CCOCC2)nc1N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.71
▸ CASP4 P49662 1/20 0.71
▸ CASP5 P51878 1/20 0.71
▸ KMT2A Q03164 2/20 0.65
▸ HRH4 Q9H3N8 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ PIK3CA P42336 7/20 0.52
▸ MAP3K12 Q12852 1/20 0.52
▸ PIK3CB P42338 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL18799427 0.91 CASP1 (0.59) CASP1CASP4CASP5KMT2AHRH4
SCHEMBL13848246 0.91 CASP1 (0.59) CASP1CASP4CASP5KMT2AHRH4
SCHEMBL9003193 0.91 KMT2A (0.76) CASP1CASP4CASP5KMT2AHRH4
Hydrochloric Acid SCHEMBL28611311 0.89 CASP1 (0.58) CASP1CASP4CASP5KMT2AHRH4
Hydrochloric Acid SCHEMBL29434911 0.89 CASP1 (0.58) CASP1CASP4CASP5KMT2AHRH4
Hydrochloric Acid SCHEMBL3997286 0.89 CASP1 (0.58) CASP1CASP4CASP5KMT2AHRH4
SCHEMBL1124098 0.88 POLB (0.59) CASP1CASP4CASP5KMT2AHRH4
SCHEMBL9073283 0.87 CASP1 (0.55) CASP1CASP4CASP5KMT2AHRH4
SCHEMBL778162 0.87 HRH1 (0.65) CASP1CASP4CASP5KMT2APOLB
SCHEMBL778143 0.87 HRH1 (0.65) CASP1CASP4CASP5KMT2APOLB

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP claimed
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 — — US claimed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO claimed
US-5506354-A ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS THE UPJOHN COMPANY (US) 1996-04-09 — — US disclosed
EP-0238545-B1 C20 THROUGH C26 AMINO STEROIDS UPJOHN CO (US) 1995-11-15 — — EP disclosed
US-RE35053-E Intermediates for amino substituted steroids THE UPJOHN COMPANY (US) 1995-10-10 — — US disclosed
EP-0263213-B1 C20 Through C26 amino steroids UPJOHN CO (US) 1995-09-06 — — EP disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 — — US disclosed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
US-5380841-A Steroids as antiinflammatory agents THE UPJOHN COMPANY (US) 1995-01-10 — — US disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 — — EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 — — EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 — — WO disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 — — WO disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — EP disclosed
WO-1987007895-A1 ANDROSTANE-TYPE AND CORTICAL AMINOESTERS THE UPJOHN COMPANY (US) 1987-12-30 — — WO disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 — — EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 — — WO disclosed
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