SCHEMBL8966682

SCHEMBL8966682

COc1ncc(/C=C/Br)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
CRHR1 P34998 1/20 0.35
MYC P01106 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CYP1A2 P05177 3/20 0.32

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
SCHEMBL8966684 1.00 QPCT (0.38) QPCTQPCTLCRHR1MYCTUBB4A
SCHEMBL12408963 0.84 QPCT (0.38) QPCTQPCTLCRHR1MYCTUBB4A
SCHEMBL4082660 0.82 QPCT (0.38) QPCTQPCTLCRHR1MYCTUBB4A
SCHEMBL4082657 0.82 QPCT (0.38) QPCTQPCTLCRHR1MYCTUBB4A
SCHEMBL16768951 0.78 QPCT (0.39) QPCTQPCTLCRHR1MYCTUBB4A
SCHEMBL1904655 0.78 QPCT (0.39) QPCTQPCTLCRHR1MYCCYP1A2
SCHEMBL3930316 0.77 MYC (0.40) QPCTQPCTLMYCGAAPLAU
SCHEMBL30961463 0.74 MYC (0.42) QPCTQPCTLCRHR1MYCCYP1A2
SCHEMBL13334630 0.73 HTR2A (0.37) QPCTQPCTLCRHR1TUBB4ATUBB
SCHEMBL3322904 0.72 CHRNB2 (0.42) QPCTQPCTLCRHR1MYCTUBB4A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
EP-0421777-B1 Further antiviral pyrimidine nucleosides UNIV BIRMINGHAM (GB) 1996-02-28 EP disclosed
EP-0658166-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES THE UNIVERSITY OF BIRMINGHAM (GB) 1995-06-21 EP disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
WO-1994005687-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1994-03-17 WO disclosed
WO-1991004982-A1 FURTHER ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-04-18 WO disclosed
EP-0421777-A1 Further antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-04-10 EP disclosed
WO-1991001326-A1 ANTIVIRAL PYRIMIDINE NUCLEOSIDES UNIVERSITY OF BIRMINGHAM (GB) 1991-02-07 WO disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP disclosed