SCHEMBL9664786

SCHEMBL9664786

O=C=NCc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
CYP3A4 P08684 3/20 0.56
AHR P35869 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP2D6 P10635 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50

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
SCHEMBL12949464 0.83 HTR2A (0.56) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL2940909 0.83 MEN1 (0.56) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL28224556 0.77 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL347688 0.77 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL431743 0.75 CYP3A4 (0.35) CYP3A4ALDH1A1HPGD
SCHEMBL29386855 0.75 CYP3A4 (0.35) CYP3A4ALDH1A1HPGD
SCHEMBL348936 0.74 HTR2A (0.61) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL6524121 0.74 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL29413080 0.74 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL90504 0.74 MEN1 (0.69) MEN1KMT2AMAPTCYP3A4AHR

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
EP-0240352-B1 5-FLUOROURACIL DERIVATIVES AND PROCESSES FOR PRODUCING THEREOF Chisso Corporation (JP) 1992-12-16 EP disclosed
US-4792607-A ANTICANCER MEDICINE INTERRMEDIATES CHISSO CORPORATION (JP) 1988-12-20 US disclosed
EP-0240352-A2 5-Fluorouracil derivatives and processes for producing thereof Chisso Corporation (JP) 1987-10-07 EP disclosed