SCHEMBL11052503

SCHEMBL11052503

CC(C)(C)NC(=O)NC(=N)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 5/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL11057187 0.87 KCNMA1 (0.50) KCNMA1MAPTALDH1A1MAPK1MEN1
SCHEMBL11049781 0.85 KIF11 (0.46) MEN1KMT2AHTT
SCHEMBL11813657 0.84 KCNMA1 (0.53) KCNMA1MAPTALDH1A1MAPK1PKM
SCHEMBL11580645 0.84 KCNMA1 (0.56) KCNMA1MAPTALDH1A1MAPK1PKM
SCHEMBL11255956 0.84 MEN1 (0.42) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL11055535 0.83 APP (0.54) KCNMA1MAPTALDH1A1MAPK1PKM
SCHEMBL11052878 0.83 KDM4E (0.47) MAPTALDH1A1MAPK1PKMMEN1
SCHEMBL11050004 0.82 CA12 (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL11053855 0.82 MAPT (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL11250280 0.82 LMNA (0.41) MAPTPKMMEN1KMT2AHTT

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