SCHEMBL11049811

SCHEMBL11049811

CC(C)(C)NC(=O)NC(=N)Nc1c(Cl)cc(Br)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 3/20 0.37
▸ APEX1 P27695 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PDGFRA P16234 1/20 0.32

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
SCHEMBL11049751 0.93 HTT (0.43) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11049578 0.90 RAB9A (0.45) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11052869 0.90 HTT (0.43) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11053832 0.88 IDH1 (0.43) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11052104 0.88 HTT (0.48) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11049596 0.87 HTT (0.39) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11049778 0.85 ALDH1A1 (0.41) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11254493 0.85 ALDH1A1 (0.41) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11054286 0.85 HTT (0.43) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11049789 0.84 NPC1 (0.42) MAPK1NPC1RAB9AALDH1A1SMN1; SMN2

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
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 — — US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 — — US disclosed
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 — — US disclosed
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