SCHEMBL7879664

SCHEMBL7879664

CN(C(=N)N)C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
ATM Q13315 1/20 0.59
PBRM1 Q86U86 1/20 0.55
GPR84 Q9NQS5 1/20 0.54
NR4A2 P43354 2/20 0.51
CREBBP Q92793 1/20 0.51
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.46
ADAM17 P78536 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
NPC1 O15118 1/20 0.45
IDO1 P14902 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
Hydrochloric Acid SCHEMBL7873855 0.99 ALDH1A1 (0.58) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL7881794 0.82 ALDH1A1 (0.55) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL7457775 0.81 ALDH1A1 (0.62) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL7881768 0.81 TUBB4A (0.43) ALDH1A1ATMPBRM1MAPK1
SCHEMBL29557695 0.81 PBRM1 (0.66) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL6484953 0.81 PBRM1 (0.66) ALDH1A1ATMPBRM1GPR84NR4A2
Hydrochloric Acid SCHEMBL7882356 0.81 ALDH1A1 (0.54) ALDH1A1ATMPBRM1GPR84NR4A2
Hydrochloric Acid SCHEMBL7879913 0.80 TUBB4A (0.42) ALDH1A1ATMPBRM1MAPK1
Hydrochloric Acid SCHEMBL29013059 0.80 PBRM1 (0.64) ALDH1A1ATMPBRM1GPR84NR4A2
SCHEMBL7881964 0.77 CFTR (0.56) ALDH1A1ATMPBRM1GPR84KMT2A

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed