SCHEMBL7884285

SCHEMBL7884285

CNC(N)=NC(=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
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
RAB9A P51151 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7882160 0.91 SLC6A2 (0.31) MAPTALDH1A1
SCHEMBL7873249 0.88
SCHEMBL7873545 0.87 KMT2A (0.37) NPC1MAPTRAB9AKMT2APOLB
SCHEMBL7884319 0.86 RXRA (0.39)
SCHEMBL7880755 0.86 MRGPRX4 (0.34)
Hydrochloric Acid SCHEMBL7880978 0.85 CNR2 (0.36) NPC1RAB9APOLBALDH1A1
SCHEMBL7881181 0.85 FFAR1 (0.38) SMN1; SMN2
SCHEMBL7884840 0.84 MRGPRX4 (0.40)
Hydrochloric Acid SCHEMBL7877992 0.83 HTR2A (0.34) ALDH1A1
SCHEMBL7879819 0.83 SLC9A1 (0.36) NPC1RAB9AKMT2APOLBMEN1

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