SCHEMBL6779818

SCHEMBL6779818

Cc1nc(N)c2nc(C)n(CCCNS(=O)(=O)c3ccc4ccccc4c3)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HTR7 P34969 10/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR6 P50406 2/20 0.44
ADRA2A P08913 1/20 0.44
DRD2 P14416 1/20 0.44
NPY1R P25929 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL6778211 0.94 ALDH1A1 (0.50) POLBHTR7ALDH1A1LMNAGAA
SCHEMBL6774423 0.87 TLR7 (0.41) HTR7ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6775218 0.86 POLB (0.42) POLBHTR7ALDH1A1LMNAGAA
SCHEMBL6779264 0.86 ALDH1A1 (0.41) POLBHTR7ALDH1A1SMN1; SMN2HTR1A
SCHEMBL6779845 0.83 KDM4E (0.38) POLB
SCHEMBL6777386 0.83 CCR1 (0.41) HTR7ALDH1A1HTR1AHTR2AHTR2C
SCHEMBL6779812 0.83 SCN1A (0.48) HTR7ALDH1A1HTR1AHTR2AHTR6
SCHEMBL6773797 0.83 KMT2A (0.43) POLBHTR7ALDH1A1LMNAGAA
SCHEMBL6778251 0.81 MEN1 (0.43) ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6780037 0.80 CYP3A4 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed