SCHEMBL31388243

SCHEMBL31388243

Cc1ccc(C(CC2CCCCC2)c2ccncc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.39
CYP19A1 P11511 3/20 0.38
GCK P35557 1/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CHRNA7 P36544 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL31388228 0.83 GCK (0.53) PDE4ACYP19A1GCKIDO1TDO2
SCHEMBL31388237 0.83 PDE4A (0.44) PDE4ACYP19A1GCK
SCHEMBL31388239 0.83 CYP19A1 (0.50) PDE4ACYP19A1GCKAKT1
SCHEMBL31388235 0.82 CYP17A1 (0.56) PDE4ACYP19A1MEN1KMT2APDE4B
SCHEMBL31388229 0.80 GCK (0.40) CYP19A1GCKMETAP2METAP1KEAP1
SCHEMBL31388227 0.79 GCK (0.38) CYP19A1GCK
SCHEMBL31388240 0.79 GCK (0.36) PDE4ACYP19A1GCKMETAP2METAP1
SCHEMBL27969237 0.78 METAP2 (0.42) METAP2METAP1ALDH1A1KEAP1NFE2L2
SCHEMBL278375 0.74 GAA (0.46) METAP2METAP1IDO1
SCHEMBL22868100 0.73 METAP2 (0.47) METAP2METAP1KEAP1NFE2L2CHRNA7

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
CN-119431348-B Preparation method and application of pyridine derivative compound 浙江理工大学 2026-05-12 CN disclosed
CN-119431348-A Preparation method and application of pyridine derivative compound 浙江理工大学 2025-02-14 CN disclosed