SCHEMBL7882152

SCHEMBL7882152

CN(C)Cc1ccc(COc2ccc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c23)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7884279 0.92 MEN1 (0.33) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL7880847 0.89 SLC6A2 (0.31)
SCHEMBL7879720 0.88 MAPT (0.37) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL7877966 0.86 S1PR1 (0.36) MEN1KMT2ACYP2C19
SCHEMBL7885040 0.86 NEK2 (0.33)
SCHEMBL7878060 0.85 FFAR1 (0.37) CYP2C19
SCHEMBL7882160 0.84 SLC6A2 (0.31) MAPTALDH1A1PKM
Hydrochloric Acid SCHEMBL7880973 0.84 AR (0.35) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL7881492 0.84 MRGPRX4 (0.37) ALDH1A1L3MBTL1
SCHEMBL7885072 0.83 AR (0.33) SMN1; SMN2

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