SCHEMBL7984590

SCHEMBL7984590

COc1cc2c3c(Br)cc(OC)c(OC)c3n(S(C)(=O)=O)c2cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
CYP19A1 P11511 2/20 0.35
NQO2 P16083 2/20 0.35
KDR P35968 1/20 0.33
TSHR P16473 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TNFRSF1A P19438 1/20 0.32
TUBB1 Q9H4B7 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RET P07949 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7980269 0.78 CYP19A1 (0.43) CYP19A1NQO2TSHRRETKDM4E
SCHEMBL7970600 0.76 POLB (0.38) TSHRPDE3BPDE3ARETKDM4E
SCHEMBL7983591 0.75 SRC (0.60) CA1CA2CA9
SCHEMBL7983594 0.74 EED (0.41) TUBB1CA12CA1CA2CA9
SCHEMBL7984223 0.69 SRC (0.59) KDRTSHRMEN1TP53MAPT
SCHEMBL7983592 0.68 SRC (0.59) KDRTUBB1CYP3A4
SCHEMBL7984116 0.67 SRC (0.55) PRKDC
SCHEMBL7970110 0.67 SRC (0.38) KDRPDE3ALCKFYNTUBB1
SCHEMBL7970608 0.62 SRC (0.50) CYP19A1NQO2TSHRTUBB1KDM4E
SCHEMBL9372517 0.61 MEN1 (0.42) CYP19A1NQO2KDRTSHRPDE3B

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