SCHEMBL7879931

SCHEMBL7879931

CNC(N)=NC(=O)c1cc2c(Cl)cc(OCc3ccc(CN(C)C)o3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PRMT5 O14744 1/20 0.30
NPC1 O15118 3/20 0.30
RAB9A P51151 3/20 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
SCHEMBL7882066 0.90 TDP1 (0.34) TDP1POLBMAPTTSHRSMN1; SMN2
SCHEMBL7880796 0.89 ALDH1A1 (0.32) ACHEMAPTALDH1A1
SCHEMBL7885076 0.88 TDP1 (0.32) TDP1
SCHEMBL7873536 0.86 MAP2 (0.37) ACHE
SCHEMBL7880186 0.86
Hydrochloric Acid SCHEMBL7873289 0.86 MAP2 (0.36) ACHE
SCHEMBL7881445 0.86 FLT3 (0.39) TDP1ACHEMAPTKDM4ENPC1
SCHEMBL7873845 0.85 SLC6A4 (0.34)
SCHEMBL7880962 0.84 MAOB (0.37)
SCHEMBL7879726 0.82 KMT2A (0.35) TDP1ACHEPOLBMAPTALDH1A1

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