SCHEMBL7991753

SCHEMBL7991753

CC(C)(C)OC(=O)c1nc(-c2ccccc2)[nH]c1-c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
DHODH Q02127 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRA6 Q16445 2/20 0.42
METAP2 P50579 1/20 0.41
PIN1 Q13526 2/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
RAF1 P04049 1/20 0.40
HPGDS O60760 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL7988219 0.87 TGFBR1 (0.47) ALDH1A1LMNADHODHGABRA1GABRG2
SCHEMBL7989683 0.85 ALDH1A1 (0.48) ALDH1A1LMNADHODHGABRA1GABRG2
SCHEMBL7988268 0.83 PIN1 (0.52) DHODHMETAP2PIN1ERCC1FEN1
SCHEMBL7977727 0.82 RAF1 (0.55) ALDH1A1LMNAPIN1RAF1
Hydrochloric Acid SCHEMBL7991931 0.74 RAB9A (0.51) LMNAMETAP2CYP1A2MAPK1
SCHEMBL7991975 0.72 MAPK14 (0.49) ALDH1A1RAF1
SCHEMBL7991767 0.71 MAPK11 (0.57) ALDH1A1LMNARAF1CYP1A2MAPK1
SCHEMBL7995659 0.71 GCGR (0.54) RAF1
SCHEMBL7989693 0.70 MAPK14 (0.54) ALDH1A1RAF1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7977803 0.70 GCGR (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3

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