SCHEMBL8430854

SCHEMBL8430854

CCOC(=O)C(=C=O)Cc1ccc(-c2cccc(NC(=N)N)c2)cc1NC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
F10 P00742 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLA2G1B P04054 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP2 Q13822 2/20 0.35
MGLL Q99685 4/20 0.34
CFD P00746 1/20 0.33
HDAC1 Q13547 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
SCHEMBL8429206 0.73 ENPP2 (0.38) ENPP2MGLLCFDHDAC1
SCHEMBL8430895 0.70 DHODH (0.41) DHODHF10ALDH1A1ITGB3ITGAV
SCHEMBL8429036 0.70 DHODH (0.51) DHODHF10MAPTHPGDITGB3
SCHEMBL27113200 0.66 CYP3A4 (0.54) LMNAMAPTMEN1ALDH1A1HPGD
SCHEMBL8687140 0.65 KMT2A (0.65) LMNAMAPTMEN1ALDH1A1HPGD
SCHEMBL25277661 0.65 MGLL (0.61) MGLLCFDHDAC1
SCHEMBL8432464 0.64 DHODH (0.43) DHODHF10ITGB3ITGAVMGLL
SCHEMBL27115412 0.62 TERT (0.49) MGLLCFDHDAC1
Nitrous Acid SCHEMBL5997813 0.62 F10 (0.44) F10LMNAMAPTMEN1ALDH1A1
SCHEMBL9721920 0.62 LMNA (0.62) DHODHLMNAMAPTALDH1A1HPGD

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed