SCHEMBL7386264

SCHEMBL7386264

c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2Cc1ccncc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK13 Q9HB14 5/20 0.55
ALDH1A1 P00352 6/20 0.52
PDE6D O43924 1/20 0.52
ALDH2 P05091 1/20 0.52
ALDH3A1 P30838 1/20 0.52
TP53 P04637 4/20 0.52
TSHR P16473 1/20 0.50
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CNR2 P34972 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL7394378 0.92 ALDH1A1 (0.63) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7394081 0.90 TP53 (0.54) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7385426 0.88 KDM4E (0.52) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7392863 0.85 KDM4E (0.52) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7387710 0.85 ALDH1A1 (0.54) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7393927 0.83 MAPT (0.55) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7391911 0.83 CFTR (0.53) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7394556 0.82 TP53 (0.64) ALDH1A1PDE6DALDH2ALDH3A1TP53
SCHEMBL7394475 0.82 TP53 (0.66) ALDH1A1TP53TSHRHTTLMNA
SCHEMBL7396158 0.82 TSHR (0.58) ALDH1A1PDE6DALDH2ALDH3A1TP53

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-6130333-A VISION DEFECTS; CARDIOVASCULAR DISORDERS MONSANTO COMPANY (US) 2000-10-10 US disclosed