SCHEMBL10856499

SCHEMBL10856499

O=C(O)C(=O)n1cnc2cncnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 11/20 0.37
ALDH1A1 P00352 9/20 0.37
CYP2C19 P33261 9/20 0.37
CYP2C9 P11712 8/20 0.37
CYP3A4 P08684 7/20 0.37
TSHR P16473 6/20 0.37
LMNA P02545 5/20 0.37
MEN1 O00255 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.35
DNMT3B Q9UBC3 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CLK4 Q9HAZ1 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 4/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL5349506 0.86 FDPS (0.45) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL27773587 0.84 FDPS (0.46) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL28486686 0.83 FDPS (0.41) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL3646046 0.81 FDPS (0.44) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL7771674 0.81 FDPS (0.44) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL2183866 0.77 HDAC1 (0.42) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL27683016 0.77 FDPS (0.44) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL27598790 0.76 FDPS (0.40) FDPSHDAC1HDAC6CYP1A2ALDH1A1
Pyrimidine SCHEMBL27682816 0.74 FDPS (0.40) FDPSHDAC1HDAC6CYP1A2ALDH1A1
SCHEMBL14125938 0.74 FDPS (0.43) FDPSHDAC1HDAC6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed