SCHEMBL27730833

SCHEMBL27730833

NC(=O)N(N)N.c1ccc(COc2ncncn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
PARP10 Q53GL7 1/20 0.45
ACACB O00763 2/20 0.43
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
EGFR P00533 2/20 0.39
MAOB P27338 1/20 0.39
LTA4H P09960 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2777205 0.83 TSHR (0.46) ALOX5HTTMAOBLTA4HSMN1; SMN2
SCHEMBL27676967 0.78 LMNA (0.41) ALOX5PARP10NR4A1NR4A2NR4A3
SCHEMBL27599363 0.75 ALOX5 (0.45) ALOX5PARP10NR4A1NR4A2NR4A3
SCHEMBL27641915 0.74 PIN1 (0.52) PARP10HTTKMT2AMEN1
SCHEMBL28146880 0.72 MKNK1 (0.40) KMT2AMEN1SMN1; SMN2
Diphenylmethane SCHEMBL27436307 0.70 PLA2G10 (0.61) ALOX5KMT2AMEN1LTA4HSMN1; SMN2
SCHEMBL32682868 0.69 NR4A2 (0.59) PARP10ACACBNR4A1NR4A2NR4A3
SCHEMBL2779108 0.68 LTA4H (0.55) ALOX5MAOBLTA4HSMN1; SMN2
Diphenylmethane SCHEMBL28159499 0.68 PLA2G10 (0.53) ALOX5
SCHEMBL19607728 0.68 TDP1 (0.58) KMT2AMAOB

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
CN-101254166-A An anticancer sustained release injection carrying clorfarabine and its synergist JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-09-03 CN disclosed