SCHEMBL7969684

SCHEMBL7969684

O=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2cc(O)c(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 1.00
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 0.50
HTR6 P50406 3/20 0.47
NOX4 Q9NPH5 1/20 0.46
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL12675368 0.77 SRC (0.63) SRCHTR6CXCL8NOD1PSEN1
SCHEMBL12093313 0.75 HTR6 (0.70) SRCHTR6CXCL8NOD1PSEN1
SCHEMBL7980685 0.75 SRC (0.59) SRCHTR6NOD1
SCHEMBL1898801 0.74 HTR6 (0.58) SRCHTR6CXCL8NOD1
SCHEMBL13387230 0.74 SRC (0.58) SRCHTR6CXCL8NOD1PSEN1
SCHEMBL5377982 0.73 SRC (0.58) SRCHTR6CXCL8NOD1PSEN1
SCHEMBL12344903 0.72 SRC (0.56) SRCHTR6CA12CA2CA9
SCHEMBL10141904 0.72 SRC (0.56) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL13387051 0.72 SRC (0.56) SRCHTR6PSEN1PSEN2APH1B
SCHEMBL8610386 0.71 SRC (0.55) SRCHTR6PSEN1PSEN2APH1B

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