SCHEMBL11049751

SCHEMBL11049751

CC(C)(C)NC(=O)NC(=N)Nc1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 3/20 0.39
▸ MAPK1 P28482 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL11049811 0.93 MAPK1 (0.41) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11052104 0.92 HTT (0.48) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11053938 0.90 HTT (0.47) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11049975 0.88 HTT (0.48) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11055321 0.87 HTT (0.47) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11052323 0.86 HTT (0.43) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11049578 0.85 RAB9A (0.45) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11052869 0.85 HTT (0.43) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11260411 0.84 HTT (0.43) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL11052848 0.84 ALDH1A1 (0.43) HTTMEN1KMT2ANPC1RAB9A

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
Send feedback