SCHEMBL7977606

SCHEMBL7977606

CC1COCC(C)N1c1ccc(-c2nc(C(=O)O)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.38
PIN1 Q13526 5/20 0.37
WNT3A P56704 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPK14 Q16539 4/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
GCGR P47871 2/20 0.35
RAF1 P04049 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7990035 0.86 SIRT2 (0.46) GCGRKDM4EMAPTKMT2A
SCHEMBL7988663 0.81 MEN1 (0.46) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL7991773 0.80 PARP1 (0.51) CHEK2PIN1KDM4EALDH1A1MAPT
SCHEMBL7989957 0.80 USP2 (0.48) CHEK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL7991843 0.78 AURKA (0.45) CHEK2ALDH1A1HPGDMAPTKMT2A
SCHEMBL7988137 0.77 PRKAB2 (0.52) CHEK2TNKS2ALDH1A1HPGDMAPT
SCHEMBL7989662 0.77 LMNA (0.45) CHEK2ALDH1A1HPGDMAPTKMT2A
SCHEMBL7991959 0.76 SMN1; SMN2 (0.44) PIN1KDM4EALDH1A1MAPTKMT2A
SCHEMBL7991757 0.75 DGAT1 (0.42) CHEK2ALDH1A1HPGDMAPTKMT2A
SCHEMBL7988555 0.75 PARP1 (0.54) PIN1ALDH1A1KMT2AMEN1MAPK1

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