SCHEMBL7980441

SCHEMBL7980441

COc1cc2c3ccc(OC)c(OC)c3n(S(=O)(=O)Cc3ccccc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.53
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
PTK2B Q14289 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP19A1 P11511 1/20 0.37
NQO2 P16083 1/20 0.37
FKBP1A P62942 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL7970608 0.82 SRC (0.50) SRCALDH1A1KMT2AMAPTLMNA
SCHEMBL7980269 0.80 CYP19A1 (0.43) ALDH1A1MAPK1MAPTSMN1; SMN2CYP19A1
SCHEMBL7970968 0.77 TSHR (0.47) SRCALDH1A1KMT2AMAPK1MAPT
SCHEMBL7983968 0.73 SRC (0.56) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7984408 0.73 SRC (0.51) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7970472 0.73 SRC (0.55) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL7981866 0.70 SRC (0.55) SRCALDH1A1KMT2AMAPK1MAPT
SCHEMBL7983971 0.70 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7980253 0.70 SRC (0.55) SRCALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7987262 0.70 SRC (0.50) SRCPRKACAPRKACGPRKACBALDH1A1

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