SCHEMBL7881426

SCHEMBL7881426

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ CYP19A1 P11511 4/20 0.42
▸ MGMT P16455 1/20 0.41
▸ HPD P32754 3/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL3614237 0.80 MAPT (0.49) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL7882348 0.80 MAPT (0.49) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL7884271 0.80 RXRA (0.44) MAPTMEN1KMT2ARXRARXRB
SCHEMBL7884261 0.80 RXRA (0.44) MAPTMEN1KMT2ARXRARXRB
SCHEMBL7884267 0.79 RXRA (0.42) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL2974012 0.79 TDP1 (0.45) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL10411921 0.78 MAPT (0.52) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL1162221 0.78 PTGER1 (0.54) MAPTMEN1KMT2ATDP1L3MBTL1
SCHEMBL544327 0.77 MEN1 (0.59) MAPTMEN1KMT2ARXRARXRB
SCHEMBL10730419 0.77 MAPT (0.54) MAPTMEN1KMT2ATDP1L3MBTL1

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
JP-9143127-A — — None — — JP disclosed
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
JP-H09143127-A NITROTOLUENE DERIVATIVE AND ITS PRODUCTION SUMITOMO PHARMACEUT CO LTD 1997-06-03 — — JP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 — — EP disclosed
Send feedback