SCHEMBL7884261

SCHEMBL7884261

O=C(O)C(=O)Cc1c(C(F)(F)F)ccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 3/20 0.44
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ CTSV O60911 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ PPIA P62937 1/20 0.39
▸ HPD P32754 1/20 0.39
▸ MGMT P16455 1/20 0.38

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
SCHEMBL7884271 1.00 RXRA (0.44) RXRARXRBRXRGMRGPRX4CTSV
SCHEMBL7884584 0.82 PTGER1 (0.44) RXRARXRBMRGPRX4CTSVCTSL
SCHEMBL7884590 0.82 PTGER1 (0.44) RXRARXRBMRGPRX4CTSVCTSL
SCHEMBL7881426 0.80 MAPT (0.46) RXRARXRBRXRGMRGPRX4MEN1
SCHEMBL7884267 0.79 RXRA (0.42) RXRARXRBRXRGMRGPRX4CTSV
SCHEMBL10831662 0.76 PTGER1 (0.46) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL544327 0.73 MEN1 (0.59) RXRARXRBRXRGMRGPRX4CTSV
SCHEMBL2876196 0.72 MEN1 (0.61) RXRARXRBRXRGMRGPRX4CTSV
SCHEMBL30354835 0.72 MEN1 (0.61) RXRARXRBRXRGMRGPRX4CTSV
SCHEMBL5624528 0.71 PTGES (0.47) MRGPRX4CTSVCTSLMEN1KMT2A

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
Send feedback