SCHEMBL8723623

SCHEMBL8723623

CSc1nc(N)c(N=O)c(=O)n1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.62
CASP6 P55212 2/20 0.42
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
MAPT P10636 5/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8720564 0.78 RXFP1 (0.44) RXFP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL9301495 0.72 CDK2 (0.46) RXFP1CASP6KDM4ECDK2CDK1
SCHEMBL2645605 0.68 RXFP1 (0.38) RXFP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL5456964 0.67 CDK2 (0.42) RXFP1CASP6KDM4ELMNACDK2
SCHEMBL5549673 0.63 CDK2 (0.59) RXFP1CASP6ALDH1A1KDM4ELMNA
SCHEMBL6209356 0.63 CDK2 (0.52) ALDH1A1LMNACDK2CDK1CDK4
SCHEMBL4193697 0.62 CASP6 (0.66) RXFP1CASP6ALDH1A1KDM4ELMNA
SCHEMBL10332494 0.62 ALDH1A1 (0.44) RXFP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL9409123 0.62 SCN5A (0.51) RXFP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL11491285 0.62 RXFP1 (0.36) RXFP1ALDH1A1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed