SCHEMBL11055321

SCHEMBL11055321

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ POLB P06746 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ANO1 Q5XXA6 2/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 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
SCHEMBL11053344 0.92 HTT (0.43) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11053832 0.91 IDH1 (0.43) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11049975 0.90 HTT (0.48) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11053938 0.88 HTT (0.47) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11049751 0.87 HTT (0.43) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11052323 0.87 HTT (0.43) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11057127 0.85 HTT (0.42) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11051610 0.85 HTT (0.53) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11049566 0.84 LCK (0.40) HTTPOLBAPEX1MEN1KMT2A
SCHEMBL11053827 0.84 MAPK1 (0.54) HTTPOLBMEN1KMT2AMAPK1

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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