SCHEMBL7877889

SCHEMBL7877889

CN(C)Cc1cccc(COc2ccc3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
FLT3 P36888 2/20 0.47
CFD P00746 1/20 0.46
NOS1 P29475 2/20 0.43
NOS2 P35228 1/20 0.43
MAOB P27338 5/20 0.42
ACHE P22303 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F2 P00734 2/20 0.42
ROCK2 O75116 2/20 0.41

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
SCHEMBL7877731 0.92 MEN1 (0.48) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7882345 0.92 MEN1 (0.48) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7878027 0.91 MEN1 (0.48) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7884237 0.88 MEN1 (0.52) MEN1KMT2ARXFP1FLT3PDGFRB
Hydrochloric Acid SCHEMBL7877487 0.88 FLT3 (0.58) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7877993 0.86 FLT3 (0.48) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7882019 0.85 MEN1 (0.48) MEN1KMT2ARXFP1FLT3MAOB
SCHEMBL7877704 0.85 KMT2A (0.43) MEN1KMT2ARXFP1FLT3CFD
SCHEMBL7880955 0.84 MAOB (0.38) MEN1KMT2ARXFP1CFDNOS1
SCHEMBL7873334 0.84 KMT2A (0.50) MEN1KMT2ARXFP1FLT3PDGFRB

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-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed