SCHEMBL28001042

SCHEMBL28001042

O[C@@H](c1ccccc1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
CYP17A1 P05093 1/20 0.68
CFTR P13569 2/20 0.63
GOPC Q9HD26 2/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A4 P31645 1/20 0.63
SLC6A3 Q01959 1/20 0.63
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.58
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNA5 P22460 5/20 0.50
KCNN4 O15554 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TBXAS1 P24557 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL30476552 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL30476558 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL477393 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL477633 1.00 SMN1; SMN2 (1.00) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL1242879 0.93 SMN1; SMN2 (0.87) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL10968928 0.91 SMN1; SMN2 (0.82) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL18228789 0.89 SMN1; SMN2 (0.81) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL11605250 0.86 SMN1; SMN2 (0.74) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL11062714 0.86 CYP17A1 (0.90) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2
SCHEMBL2908868 0.84 SMN1; SMN2 (0.72) SMN1; SMN2CYP17A1CFTRGOPCSLC6A2

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-104342464-A Method for producing chiral phenyl methanol employing catalysis of tarlaromyces flavus UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-02-11 CN disclosed