SCHEMBL9052268

SCHEMBL9052268

CC(C)c1nn2ccccc2c1C=CC(=O)C=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.52
PDE5A O76074 6/20 0.52
PDE3A Q14432 4/20 0.52
ADORA2A P29274 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MIF P14174 2/20 0.52
ADORA1 P30542 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
PDE4A P27815 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3B Q13370 1/20 0.52

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
SCHEMBL3205161 0.84 PDE4B (0.53) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL3197550 0.84 PDE4B (0.53) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL3193018 0.84 PDE4B (0.53) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL10809810 0.78 PDE4B (0.51) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL10809812 0.78 PDE4B (0.51) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL3205869 0.77 PDE4B (0.56) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL3196384 0.74 PDE4B (0.54) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL653503 0.73 PDE4B (0.76) PDE4BPDE5APDE3AADORA2AALDH1A1
SCHEMBL7294668 0.72 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL7294663 0.72 ADORA2A (0.56) ADORA2AADORA1MEN1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8012673-A None JP disclosed
JP-H0812673-A PYRAZOLOPYRIDINEOXOALKYLENOIC ACID DERIVATIVE AND ITS PRODUCTION KYORIN PHARMACEUT CO LTD 1996-01-16 JP disclosed