SCHEMBL6778211

SCHEMBL6778211

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 5/20 0.44
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
FGB P02675 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6779818 0.94 POLB (0.48) ALDH1A1LMNAGAASMN1; SMN2HTR7
SCHEMBL6773797 0.89 KMT2A (0.43) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL6778251 0.87 MEN1 (0.43) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL6780037 0.85 CYP3A4 (0.40) ALDH1A1MEN1KMT2AUSP2ESR1
SCHEMBL6779292 0.85 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6774446 0.85 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2USP2HTR7
SCHEMBL6778259 0.83 KDM4E (0.39) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL6779678 0.82 NPY5R (0.40) MEN1KMT2AUSP2ESR1CYP1A2
SCHEMBL6778198 0.82 CA1 (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6780566 0.82 CYP3A4 (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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