SCHEMBL11050083

SCHEMBL11050083

CC(C)(C)NC(=O)NC(=N)Nc1cccc(Br)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 2/20 0.37
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11052077 0.86 MEN1 (0.74) MAPK1MEN1KMT2APOLBPDK1
SCHEMBL11054808 0.86 MEN1 (0.43) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11051039 0.86 HTT (0.49) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11257947 0.85 MAPK1 (0.43) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11052110 0.84 MEN1 (0.55) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11054793 0.82 NPC1 (0.44) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11056782 0.82 MAPK1 (0.48) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11052475 0.81 POLB (0.61) MAPK1MEN1KMT2APOLBNPC1
SCHEMBL11265410 0.80 KMT2A (0.56) MAPK1MEN1KMT2APOLBRAB9A
SCHEMBL11059010 0.80 MEN1 (0.55) MAPK1MEN1KMT2APOLBNPC1

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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