SCHEMBL28581997

SCHEMBL28581997

O=C1CC=Cc2c1ccc1c2cnc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA6 Q16445 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL23120251 0.85 KDM4E (0.38) KDM4EGPR3GABRA1GABRG2GABRB3
SCHEMBL29181691 0.76 ALDH1A1 (0.49)
SCHEMBL11792036 0.74 ALDH1A1 (0.38) KDM4ESMN1; SMN2
SCHEMBL3258162 0.73 ALDH1A1 (0.41) KDM4ECA12SMN1; SMN2CA9
SCHEMBL29563614 0.73 ALDH1A1 (0.41) KDM4ECA12SMN1; SMN2CA9
SCHEMBL7045291 0.70 TYMS (0.38) KDM4EGPR3SMN1; SMN2
SCHEMBL7049654 0.70 HPGD (0.42) KDM4ESMN1; SMN2
SCHEMBL29749295 0.68 GPR3 (0.42) KDM4EGPR3PDE4APDE4BPDE4C
SCHEMBL28551604 0.68 GPR3 (0.42) KDM4EGPR3PDE4APDE4BPDE4C
SCHEMBL31216384 0.66 HIPK2 (0.36)

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-113024462-A Method for efficiently preparing phenanthridinone and derivatives thereof without metal participation 清华大学 2021-06-25 CN disclosed