SCHEMBL9226047

SCHEMBL9226047

c1ccc(-c2nc(-c3ccccn3)nc(N3CC[N]CC3)n2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.60
▸ L3MBTL1 Q9Y468 5/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ METAP1 P53582 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HIF1A Q16665 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PPP1CA P62136 1/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SLC6A7 Q99884 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL9069333 0.82 HTR7 (0.59) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL9771755 0.81 ALDH1A1 (0.53) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL9070630 0.80 TDP1 (0.55) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL1308549 0.79 METAP1 (0.64) TDP1KDM4EALOX15METAP1MAPK1
SCHEMBL29354466 0.78 KDM4E (1.00) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL322756 0.78 KDM4E (1.00) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL32681187 0.75 KDM4E (0.95) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL29171375 0.75 KDM4E (0.95) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL789163 0.75 KDM4E (0.95) TDP1KDM4EL3MBTL1ALOX15METAP1
SCHEMBL11213260 0.75 KDM4E (0.95) TDP1KDM4EL3MBTL1ALOX15METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380840-A Treating spinal trauma, head injury, subarachnoid hemorrhage; reduced side effects THE UPJOHN COMPANY (US) 1995-01-10 — — US claimed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 — — EP claimed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 — — WO claimed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 — — 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-4996318-A Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke THE UPJOHN COMPANY (US) 1991-02-26 — — US disclosed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 — — EP disclosed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 — — WO disclosed
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