SCHEMBL7980253

SCHEMBL7980253

COc1cc2c3ccc(OC)c(OC)c3n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
PTGS2 P35354 2/20 0.43
CYP19A1 P11511 1/20 0.41
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOD1 Q9Y239 2/20 0.38
NOD2 Q9HC29 1/20 0.38
KRAS P01116 1/20 0.38
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL7970608 0.85 SRC (0.50) SRCCYP19A1TDP1ALDH1A1LMNA
SCHEMBL7980269 0.78 CYP19A1 (0.43) CYP19A1ALDH1A1POLBMAPT
SCHEMBL7984148 0.71 SRC (1.00) SRCPTGS2NOD1
SCHEMBL7983604 0.70 SRC (0.58) SRCHTTTDP1ALDH1A1LMNA
SCHEMBL7980685 0.70 SRC (0.59) SRCTDP1ALDH1A1POLBL3MBTL1
SCHEMBL7981786 0.69 SRC (0.56) SRCHTTACHEALDH1A1LMNA
SCHEMBL7970249 0.67 SRC (0.57) SRCPTGS2LMNA
SCHEMBL7983968 0.65 SRC (0.56) SRCHTTALDH1A1POLBHPGD
SCHEMBL29441283 0.64 HTT (0.72) PTGS2CYP19A1HTTTDP1ALDH1A1
SCHEMBL527567 0.64 HTT (0.72) PTGS2CYP19A1HTTTDP1ALDH1A1

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-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed