SCHEMBL31258231

SCHEMBL31258231

COc1cccc(C2C=COCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.48
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
SLC9A1 P19634 1/20 0.42
DRD2 P14416 2/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GID4 Q8IVV7 1/20 0.42
LMNA P02545 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
CYP19A1 P11511 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 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
SCHEMBL4574461 0.81 KDM1A (0.41) HTR2CDRD2DDB1CRBNKDM1A
SCHEMBL31258282 0.76 KDM1A (0.42) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL28078256 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2DDB1
SCHEMBL16398273 0.76 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2DDB1
SCHEMBL30954421 0.75 TSHR (0.37) HTR2BKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL8629822 0.75 TSHR (0.37) HTR2BKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL28248304 0.74 HTR2C (0.56) HTR2CHTR2AHTR2BDRD2DDB1
SCHEMBL8329714 0.73 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2DDB1
SCHEMBL10773544 0.72 DRD2 (0.50) HTR2CHTR2AHTR2BDRD2DDB1
SCHEMBL3316532 0.71 HTR2C (0.66) HTR2CHTR2AHTR2BDRD2DDB1

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-119039312-A Method for preparing medical intermediate 3-benzimidazoline coumarin pyranone derivative by catalyzing acid eutectic solvent 南京欣久医药科技有限公司 2024-11-29 CN disclosed