SCHEMBL30449404

SCHEMBL30449404

Cc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 1/20 0.43
HTR2C P28335 4/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
PDK2 Q15119 5/20 0.39
PDK4 Q16654 4/20 0.39
HTR6 P50406 1/20 0.38
PDK1 Q15118 1/20 0.37
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10085450 1.00 CYP1A2 (0.56) CYP1A2CYP2A6ALDH1A1HTR2CDRD2
SCHEMBL7653486 0.92 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1HTR2CDRD2
SCHEMBL7650801 0.90 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HTR2CDRD2
SCHEMBL19284647 0.87 HTR2C (0.62) CYP1A2HTR2CSLC6A4HTR6
SCHEMBL30735559 0.87 HTR2C (0.62) CYP1A2HTR2CSLC6A4HTR6
Hydrochloric Acid SCHEMBL19284627 0.85 HTR2C (0.64) CYP1A2HTR2CSLC6A4HTR6
SCHEMBL25778265 0.82 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1HTR2CDRD2
SCHEMBL13698238 0.80 HTR2C (0.50) CYP1A2HTR2CHTR6
SCHEMBL19297019 0.79 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HTR2CSLC6A4
SCHEMBL30735579 0.79 HTR2C (0.69) CYP1A2CYP2A6HTR2CSLC6A4HTR6

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-116249937-A Novel naphthalimide sulfonate derivative, photoacid generator comprising the same, and photoresist composition comprising the same 株式会社三养社 2023-06-09 CN disclosed