SCHEMBL31098014

SCHEMBL31098014

OC(c1cccnc1)c1cocn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
BRD4 O60885 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.36
KCNA5 P22460 3/20 0.35
KCND3 Q9UK17 1/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL13733688 1.00 SMN1; SMN2 (0.54) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL8630495 0.81 SMN1; SMN2 (0.40) SMN1; SMN2TSHRLMNAL3MBTL1SLC6A2
SCHEMBL1242879 0.76 SMN1; SMN2 (0.87) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL8865472 0.74 PLA2G7 (0.33)
SCHEMBL8438887 0.73 SMN1; SMN2 (0.68) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL477393 0.71 SMN1; SMN2 (1.00) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL477633 0.71 SMN1; SMN2 (1.00) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL30476558 0.71 SMN1; SMN2 (1.00) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL30476552 0.71 SMN1; SMN2 (1.00) SMN1; SMN2GAACYP17A1TSHRLMNA
SCHEMBL28001042 0.71 SMN1; SMN2 (1.00) SMN1; SMN2GAACYP17A1TSHRLMNA

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-118496197-A Substituted thiophenecarboxamides, thiophenecarboxylic acids and derivatives thereof 拜耳公司 2024-08-16 CN disclosed