SCHEMBL30615209

SCHEMBL30615209

O=C1CCc2cc3ccccc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 1.00
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
DAO P14920 2/20 0.37
APP P05067 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
CA9 Q16790 1/20 0.33
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL9259627 1.00 NOTUM (1.00) NOTUMHTR2AHTR2CALDH1A1TSHR
SCHEMBL7278393 0.89 NOTUM (0.80) NOTUMHTR2AHTR2CALDH1A1TSHR
SCHEMBL9844700 0.77 NOTUM (0.62) NOTUMHTR2AHTR2CDAO
SCHEMBL9259282 0.77 NOTUM (0.62) NOTUMALDH1A1TSHRDAOKDM4E
SCHEMBL946355 0.77 NOTUM (0.62) NOTUMALDH1A1KMT2AMEN1HPGD
SCHEMBL9735956 0.77 NOTUM (0.62) NOTUMHTR2AHTR2CALDH1A1DAO
SCHEMBL7379739 0.77 NOTUM (0.62) NOTUMHTR2AHTR2CALDH1A1TSHR
SCHEMBL9844702 0.77 NOTUM (0.62) NOTUMALDH1A1TSHRDAOKDM4E
SCHEMBL9736815 0.75 NOTUM (0.56) NOTUMALDH1A1TSHR
SCHEMBL235219 0.74 NOTUM (0.59) NOTUMHTR2AHTR2CHTR1ASIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925069-B Synthesis method of iron-catalyzed fused ring [1,2-a ] indole compound 湖北工程学院 2025-03-28 CN disclosed
CN-116925069-A Synthesis method of iron-catalyzed fused ring [1,2-a ] indole compound 湖北工程学院 2023-10-24 CN disclosed