SCHEMBL29720987

SCHEMBL29720987

CCCCn1ccc2ccncc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.50
HTR2A P28223 4/20 0.47
HTR1A P08908 3/20 0.47
DRD2 P14416 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TNF P01375 2/20 0.43
STING1 Q86WV6 1/20 0.43
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
EIF4EBP1 Q13541 1/20 0.41
NPC1 O15118 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL23425580 0.84 HTR2A (0.48) GRM2HTR2AHTR1ADRD2HTR2C
SCHEMBL1159928 0.82 HTR2A (0.51) GRM2HTR2AHTR1ADRD2HTR2C
SCHEMBL29809443 0.78 TNF (0.64) GRM2HDAC3HDAC1HDAC6TNF
SCHEMBL14722271 0.78 P2RX7 (0.51) CNR2CNR1TSHRTLR8
SCHEMBL29720794 0.76 BRD9 (0.44) GRM2HTR2AHTR1ADRD2HTR2C
SCHEMBL15344922 0.76 BRD9 (0.44) GRM2HTR2AHTR1ADRD2HTR2C
SCHEMBL27136921 0.75 STING1 (0.47) GRM2HTR2AHTR1ADRD2HTR2C
Hydrochloric Acid SCHEMBL29721035 0.74 BRD9 (0.43) GRM2HTR2AHTR1ADRD2HTR2C
SCHEMBL23122675 0.74 CNR1 (0.41) GRM2TNFCNR2CNR1NPC1
SCHEMBL4552574 0.74 TNF (0.63) TNFCNR2CNR1TLR8

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-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 CN disclosed