SCHEMBL11250280

SCHEMBL11250280

CCc1cc(C(F)(F)F)ccc1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ANO1 Q5XXA6 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.37
PDE2A O00408 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 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
SCHEMBL11049781 0.88 KIF11 (0.46) LMNAL3MBTL1ANO1MEN1KMT2A
SCHEMBL11255956 0.87 MEN1 (0.42) LMNAL3MBTL1ANO1MEN1KMT2A
SCHEMBL11250897 0.86 PKM (0.48) ANO1MEN1KMT2AHTTPKM
SCHEMBL11053855 0.85 MAPT (0.40) LMNAL3MBTL1ANO1MEN1KMT2A
SCHEMBL11050004 0.85 CA12 (0.47) LMNAMEN1KMT2ACYP1A2HTT
SCHEMBL11261823 0.84 TAS2R14 (0.44) MEN1KMT2ACYP1A2HTTPDE2A
SCHEMBL11255374 0.83 KIF11 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11056245 0.82 NPC1 (0.46) LMNAANO1MEN1KMT2AHTT
SCHEMBL11056677 0.82 HTT (0.46) ANO1MEN1KMT2AHTT
SCHEMBL11052503 0.82 KCNMA1 (0.53) MEN1KMT2AHTTPKMMAPT

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-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 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