SCHEMBL29034617

SCHEMBL29034617

CCOC(=O)N1CCc2c(c3cc(OC)ccc3n2-c2ccc(OC)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.70
AKR1B1 P15121 1/20 0.70
PTGDR2 Q9Y5Y4 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
CFTR P13569 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
USP14 P54578 1/20 0.44
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL10773567 0.84 AKR1B10 (0.52) AKR1B10AKR1B1PTGDR2
SCHEMBL29034623 0.84 BAZ2B (0.54) AKR1B10AKR1B1PTGDR2MEN1KMT2A
SCHEMBL600037 0.79 AKR1B10 (0.70) AKR1B10AKR1B1PTGDR2SMN1; SMN2HSD17B10
SCHEMBL29034621 0.75 PTGDR2 (0.46) PTGDR2
SCHEMBL601773 0.75 AKR1B10 (0.64) AKR1B10AKR1B1PTGDR2MAOAMAOB
SCHEMBL11670078 0.74 AKR1B10 (0.43) AKR1B10AKR1B1SMN1; SMN2ALDH1A1USP14
SCHEMBL11759394 0.74 BAZ2B (0.46) AKR1B10AKR1B1PTGDR2MEN1KMT2A
SCHEMBL13368698 0.73 HTR6 (0.66) MAOAMAOB
SCHEMBL12868564 0.73 LMNA (0.78) AKR1B10AKR1B1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL13062133 0.73 PTGDR2 (0.51) AKR1B10AKR1B1PTGDR2MEN1KMT2A

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-116425670-A Novel heterocyclic compounds as TEAD inhibitors 英矽智能科技(上海)有限公司 2023-07-14 CN claimed
CN-116425670-A Novel heterocyclic compounds as TEAD inhibitors 英矽智能科技(上海)有限公司 2023-07-14 CN disclosed