SCHEMBL31359591

SCHEMBL31359591

Oc1ccccc1-c1cnc2c(c1)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
BCL2L1 Q07817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHEK1 O14757 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
ESR2 Q92731 1/20 0.36
CYP11B2 P19099 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 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
SCHEMBL27682801 0.97 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10BCL2L1KDM4E
SCHEMBL27663193 0.75 ESR2 (0.49) ALDH1A1HPGDHSD17B10BCL2L1TSHR
SCHEMBL12843365 0.73 FEN1 (0.53) ALDH1A1HPGDHSD17B10BCL2L1IDO1
SCHEMBL27977079 0.71 ESR2 (0.49) ALDH1A1HPGDHSD17B10BCL2L1KDM4E
SCHEMBL20406311 0.70 ADRA2A (0.47) ALDH1A1KDM4EFFAR4ADRA2AADRA2B
Trimethylammonium SCHEMBL27483759 0.70 ESR2 (0.44) ALDH1A1HPGDHSD17B10BCL2L1FFAR4
SCHEMBL27578678 0.68 CTNNB1 (0.47) ESR2
SCHEMBL1150740 0.67 PDGFRB (0.54) ALDH1A1HPGDHSD17B10BCL2L1KDM4E
SCHEMBL31359594 0.67 HPGD (0.45) ALDH1A1HPGDHSD17B10BCL2L1KDM4E
SCHEMBL27610936 0.67 HPGD (0.45) ALDH1A1HPGDHSD17B10BCL2L1IDO1

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
CN-119264037-A Method for preparing 3-phenylpyridine from pyridine nitrogen oxide 苏州大学 2025-01-07 CN disclosed