SCHEMBL7873290

SCHEMBL7873290

CCOC(=O)c1cc2c(C(F)(F)F)cc(OCCCNC(=O)OC(C)(C)C)cc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
PHGDH O43175 1/20 0.38
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRIM24 O15164 1/20 0.36
BRD4 O60885 3/20 0.36
STING1 Q86WV6 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35

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
SCHEMBL6798270 0.83 PSEN1 (0.43) PHGDHKDM4EMAPTPOLBGAA
SCHEMBL6799072 0.82 GAA (0.41) KDM4EPOLBGAACYP2C19
SCHEMBL6799070 0.82 POLB (0.41) KDM4EPOLBGAACYP2C19
SCHEMBL7877593 0.81 CA12 (0.47) DYRK1ACA12CA1CA2CA9
SCHEMBL7877960 0.81 HPGD (0.45) KDM4EPOLBGAA
SCHEMBL6795763 0.80 POLB (0.38) KDM4EPOLBGAA
SCHEMBL6797980 0.79 POLB (0.38) KDM4EPOLBGAACYP2C19
SCHEMBL6796884 0.78 AGER (0.40) KDM4EPOLBGAACYP2C19
SCHEMBL27430450 0.77 KDM4E (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL7881461 0.77 CNR2 (0.46) DYRK1AKDM4ESTING1

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