SCHEMBL7970600

SCHEMBL7970600

COc1cc2c3cc(OC)c(OC)cc3n(S(C)(=O)=O)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE3B Q13370 7/20 0.38
PDE3A Q14432 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAOA P21397 1/20 0.34
S100B P04271 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CA7 P43166 1/20 0.34
RET P07949 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 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
SCHEMBL7980269 0.81 CYP19A1 (0.43) POLBTSHRMAPK1SMN1; SMN2TP53
SCHEMBL7984590 0.76 PRKDC (0.36) TSHRMAPK1PDE3BPDE3ATP53
SCHEMBL7983553 0.72 S100B (0.44) PDE3BPDE3ASMN1; SMN2MAOAS100B
SCHEMBL7983756 0.71 SRC (0.55) SRC
SCHEMBL29368836 0.67 CYP3A4 (0.53) TSHRPDE3BPDE3ASMN1; SMN2MAOA
SCHEMBL1711296 0.67 CYP3A4 (0.53) TSHRPDE3BPDE3ASMN1; SMN2MAOA
SCHEMBL9796630 0.65 TP53 (0.41) POLBSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL15218462 0.64 TSPO (0.40) SMN1; SMN2
SCHEMBL7980611 0.63 SRC (0.60) TSHRMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31195736 0.63 MEN1 (0.41) TSHRTP53KDM4EALDH1A1HPGD

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