SCHEMBL30455024

SCHEMBL30455024

Cn1ccnc1Cc1ccccc1OC=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
FDPS P14324 1/20 0.35
OPRK1 P41145 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ADRA2C P18825 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
CNR2 P34972 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
Formic Acid SCHEMBL30454816 0.75 KMT2A (0.44) MEN1KMT2AFDPSOPRK1THRB
SCHEMBL25482268 0.73 ADRA2C (0.48) MEN1KMT2AFDPSGABRA1GABRG2
SCHEMBL950300 0.72 KMT2A (0.46) MEN1KMT2AFDPSOPRK1GABRA1
SCHEMBL9071984 0.71 KMT2A (0.58) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL2096860 0.70 L3MBTL1 (0.50) KMT2AGABRA1ALDH1A1ADRA2C
SCHEMBL19621730 0.70 CDK4 (0.45) CNR2
SCHEMBL29194433 0.70 ADRA2A (0.48) MEN1KMT2AALDH1A1ADRA2CLMNA
SCHEMBL4063363 0.70 FDPS (0.48) MEN1KMT2AFDPSOPRK1GABRA1
SCHEMBL21538649 0.70 HPGD (0.50) LMNATP53
SCHEMBL1044189 0.70 KMT2A (0.54) MEN1KMT2AFDPSGABRA1GABRG2

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-116143708-A Polysubstituted benzazepine heteroaryl derivative and application thereof 四川汇宇制药股份有限公司 2023-05-23 CN disclosed