SCHEMBL7951074

SCHEMBL7951074

O=C1C=C(c2c[nH]c3ccccc23)C(=O)C=C1c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.73
PTPRC P08575 1/20 0.73
PTPRF P10586 1/20 0.73
CDC25B P30305 1/20 0.73
SIRT2 Q8IXJ6 3/20 0.62
PRKCB P05771 2/20 0.62
PRKCA P17252 2/20 0.62
PRKD3 O94806 1/20 0.62
CCNB2 O95067 1/20 0.62
CCNE2 O96020 1/20 0.62
ABL1 P00519 1/20 0.62
PRKCG P05129 1/20 0.62
CDK1 P06493 1/20 0.62
PIM1 P11309 1/20 0.62
CDK4 P11802 1/20 0.62
CCNB1 P14635 1/20 0.62
PRKACA P17612 1/20 0.62
PRKACG P22612 1/20 0.62
PRKACB P22694 1/20 0.62
CCND1 P24385 1/20 0.62

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
SCHEMBL27795880 0.90 PTPN1 (0.61) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL27771326 0.90 PTPN1 (0.61) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL1158441 0.86 PTPRC (0.60) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL8992461 0.84 PTPN1 (1.00) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL9572016 0.84 PTPN1 (0.77) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL27898411 0.82 PTPN1 (0.64) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL5879323 0.80 PTPRC (0.58) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL2193383 0.79 PRKCB (0.65) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL29771997 0.79 PRKCB (0.65) PTPN1PTPRCPTPRFCDC25BSIRT2
SCHEMBL1202543 0.79 IMPDH2 (0.63) PTPN1PTPRCPTPRFCDC25BSIRT2

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-6090838-A USING 2,5-BISINDOL-3-YL-1,4-QUINONE SUGEN, INC. (US) 2000-07-18 US claimed
US-6239161-B1 2,5-DIHYDROXY-3,6-DI-(INDOL-3-YL)-QUINONE DERIVATIVES; ANTICARCINOGENIC AND ANTIPROLIFERATIVE AGENTS SUGEN, INC. 2001-05-29 US disclosed