SCHEMBL7983971

SCHEMBL7983971

COc1cc2c3ccc(OC)c(OC)c3n(C(c3ccccc3)S(=O)(=O)c3ccccc3)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
EGFR P00533 1/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTR6 P50406 1/20 0.34
TP53 P04637 2/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33

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 0.78 SRC (0.50) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL7983968 0.72 SRC (0.56) ALDH1A1GAAMAPTTP53KDM4E
SCHEMBL7980269 0.71 CYP19A1 (0.43) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL7980441 0.70 SRC (0.53) ALDH1A1LMNACYP19A1NQO2GAA
SCHEMBL7983976 0.70 NOX4 (0.49) ALDH1A1LMNAGAAMAPTHTR6
SCHEMBL7987262 0.68 SRC (0.50) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL7970968 0.68 TSHR (0.47) ALDH1A1MAPTTP53KDM4EHTT
SCHEMBL7980685 0.67 SRC (0.59) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28603201 0.67 NPY2R (0.42) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL7988065 0.65 SRC (0.54) ALDH1A1LMNAGAAMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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