SCHEMBL7980254

SCHEMBL7980254

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 1.00
PRKACA P17612 8/20 0.61
PRKACG P22612 8/20 0.61
PRKACB P22694 8/20 0.61
P2RX4 Q99571 1/20 0.56
IDO1 P14902 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AGTR1 P30556 1/20 0.45

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
SCHEMBL7980221 0.93 SRC (0.87) SRCPRKACAPRKACGPRKACBP2RX4
SCHEMBL7984723 0.85 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL7987588 0.77 SRC (1.00) SRCPRKACAPRKACGPRKACB
SCHEMBL872109 0.76 P2RX4 (0.81) SRCP2RX4IDO1LMNAMAPT
SCHEMBL7981392 0.76 SRC (0.61) SRCP2RX4LMNAMAPTHTT
SCHEMBL4848329 0.75 SRC (0.60) SRCP2RX4IDO1LMNAMAPT
SCHEMBL12611492 0.72 P2RX4 (1.00) SRCP2RX4IDO1LMNAMAPT
SCHEMBL7981518 0.72 P2RX4 (0.56) SRCP2RX4LMNAMAPTHTT
SCHEMBL23161502 0.71 P2RX4 (0.61) SRCPRKACAPRKACGPRKACBP2RX4
SCHEMBL12034344 0.71 P2RX4 (0.61) SRCP2RX4LMNAMAPTHTT

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