SCHEMBL29945210

SCHEMBL29945210

CC(C)c1cccc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
SLC6A2 P23975 2/20 0.41
GABRB2 P47870 2/20 0.41
HTR2C P28335 2/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL826728 1.00 GABRA1 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL29985513 0.84 CYP1A2 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL20509484 0.84 CYP1A2 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL19682339 0.84 P2RX7 (0.36) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL16844603 0.84 ADRA2A (0.39) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL3797934 0.81 TSHR (0.44) SLC6A2HTR2CTSHRADRA2AADRA2B
SCHEMBL25628272 0.81 GPR139 (0.37) SLC6A2ADRA2AADRA2BSLC6A4SLC6A3
SCHEMBL4447936 0.80 ALOX5 (0.34) SLC6A2ADRA2AADRA2BSLC6A4SLC6A3
SCHEMBL10367027 0.80 CXCL8 (0.41) LMNAHPGDPTGS1ADRA2AADRA2B
SCHEMBL2957620 0.79 ADRA2A (0.41) SLC6A2LMNAADRA2AADRA2BSLC6A4

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-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN disclosed