SCHEMBL31258243

SCHEMBL31258243

Brc1ccc(C2C=COCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.39
MAOB P27338 5/20 0.39
MAOA P21397 2/20 0.39
KCNH2 Q12809 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
KDM1B Q8NB78 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL31258154 0.81 HTR3A (0.35) SLC6A2SLC6A4SLC6A3TAAR1HTR2C
SCHEMBL30954421 0.80 TSHR (0.37) KDM1AMAOBMAOASLC6A2SLC6A4
SCHEMBL8629822 0.80 TSHR (0.37) KDM1AMAOBMAOASLC6A2SLC6A4
SCHEMBL31258282 0.79 KDM1A (0.42) KDM1ARCOR1SLC6A2SLC6A4SLC6A3
SCHEMBL4574461 0.77 KDM1A (0.41) KDM1AMAOBMAOASLC6A2SLC6A4
SCHEMBL31258197 0.73 SLC6A2 (0.38) KCNH2SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL31258158 0.70 HTR2C (0.39) KDM1ARCOR1SLC6A2SLC6A4SLC6A3
SCHEMBL2705767 0.69 KDM1A (0.39) KDM1AMAOBMAOAKCNH2RCOR1
SCHEMBL27828271 0.67 KDM1A (0.36) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL28295909 0.66 KDM1A (0.43) KDM1AMAOBMAOAKCNH2RCOR1

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