SCHEMBL7983976

SCHEMBL7983976

COc1cc2c3ccc(OC)c(OC)c3n(Cc3ccccc3S(=O)(=O)c3ccccc3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.49
TP53 P04637 4/20 0.43
GAA P10253 1/20 0.43
HTR6 P50406 3/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
SRC P12931 1/20 0.40
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7987031 0.87 NOX4 (0.54) NOX4TP53GAAHTR6RXFP1
SCHEMBL7983968 0.85 SRC (0.56) TP53GAASRCPOLBSMN1; SMN2
SCHEMBL7970469 0.83 NOX4 (0.71) NOX4TP53GAAHTR6RXFP1
SCHEMBL7970968 0.79 TSHR (0.47) TP53SRCSMN1; SMN2ALDH1A1MAPT
SCHEMBL7970608 0.74 SRC (0.50) TP53GAAHTR6SRCALDH1A1
SCHEMBL7987332 0.73 SRC (0.72) NOX4PTGDR2SRC
SCHEMBL7987028 0.73 SRC (0.57) TP53SRCPOLBSMN1; SMN2ALDH1A1
SCHEMBL7983938 0.71 SRC (0.50) TP53GAARXFP1SRCSMN1; SMN2
SCHEMBL7984408 0.70 SRC (0.51) GAASRCALDH1A1MAPT
SCHEMBL7981648 0.70 SRC (0.53) TP53RXFP1SRCSMN1; SMN2ALDH1A1

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