SCHEMBL7989683

SCHEMBL7989683

CC(C)(C)OC(=O)c1nc(-c2ccccc2)[nH]c1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
NPY5R Q15761 1/20 0.46
DHODH Q02127 3/20 0.43
PIN1 Q13526 2/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
RAF1 P04049 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LDHA P00338 1/20 0.42
EPHX2 P34913 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA6 Q16445 1/20 0.42
HPGD P15428 3/20 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
SCHEMBL7977727 0.88 RAF1 (0.55) ALDH1A1LMNAPIN1RAF1PKN1
SCHEMBL7991753 0.85 ALDH1A1 (0.43) ALDH1A1LMNADHODHPIN1ERCC1
SCHEMBL7977930 0.82 PIN1 (0.56) ALDH1A1NPY5RDHODHPIN1ERCC1
SCHEMBL7988219 0.81 TGFBR1 (0.47) ALDH1A1LMNADHODHPIN1ERCC1
SCHEMBL7991975 0.77 MAPK14 (0.49) ALDH1A1RAF1KDM4EHPGDNPC1
SCHEMBL7995659 0.76 GCGR (0.54) RAF1
SCHEMBL7991767 0.76 MAPK11 (0.57) ALDH1A1LMNARAF1KDM4EHPGD
SCHEMBL7989693 0.75 MAPK14 (0.54) ALDH1A1RAF1KDM4EHPGDCYP1A2
Hydrochloric Acid SCHEMBL7977803 0.75 GCGR (0.53) RAF1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7989739 0.74 MAPK14 (0.56) PIN1RAF1CYP1A2PARP1MAPT

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed