SCHEMBL7884279

SCHEMBL7884279

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)ccc(OCc3ccc(CN)o3)c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7882152 0.92 MAPT (0.33) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL7873245 0.88
SCHEMBL7873541 0.88 KMT2A (0.36) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL7884316 0.86 S1PR1 (0.37)
SCHEMBL7880743 0.86 MRGPRX4 (0.32)
Hydrochloric Acid SCHEMBL7880973 0.85 AR (0.35) MEN1KMT2ACYP1A2MAPTCYP2C19
SCHEMBL7881177 0.85 FFAR1 (0.38) MEN1KMT2ASMN1; SMN2
SCHEMBL7884835 0.84 MRGPRX4 (0.37)
SCHEMBL7881393 0.83 RHEB (0.32) SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7877990 0.83 HTR2A (0.33)

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