SCHEMBL30705779

SCHEMBL30705779

OC(c1cccnc1)c1cc(F)cc2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP17A1 P05093 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
POLB P06746 1/20 0.35
KCNA5 P22460 3/20 0.35
KCND3 Q9UK17 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP3A4 P08684 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TDO2 P48775 1/20 0.33
PRKDC P78527 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
SCHEMBL1632735 0.75 SMN1; SMN2 (0.53) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL5726614 0.70 TDO2 (0.49) GAASMN1; SMN2CYP17A1TSHRTDO2
SCHEMBL15647598 0.69 SMN1; SMN2 (0.62) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL1242879 0.69 SMN1; SMN2 (0.87) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL6420068 0.69 SMN1; SMN2 (0.72) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL24196560 0.68 IDO1 (0.49) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL30270464 0.68 IDO1 (0.49) GAASMN1; SMN2CYP17A1TSHRLMNA
SCHEMBL27721185 0.68 SLC6A2 (0.38) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL20001897 0.68 CYP3A4 (0.47) GAASMN1; SMN2CYP17A1TSHRLMNA
Hydrochloric Acid SCHEMBL9030540 0.67 SMN1; SMN2 (0.70) GAASMN1; SMN2CYP17A1TSHRLMNA

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-111954525-B Prodrugs of fused bicyclic C5aR antagonists 凯莫森特里克斯股份有限公司 2023-12-26 CN disclosed